#CCP4I VERSION CCP4Interface 7.0.002 #CCP4I SCRIPT LOG phaser_MR #CCP4I DATE 21 Apr 2016 17:47:15 #CCP4I USER cqx #CCP4I PROJECT 0418B2 #CCP4I JOB_ID 3 #CCP4I SCRATCH /tmp/cqx #CCP4I HOSTNAME lfz048.ust.hk #CCP4I PID 18070 




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### CCP4 PROGRAM SUITE: Phaser                                              2.6.1 ###
#####################################################################################
User:         cqx
Run time:     Thu Apr 21 17:47:15 2016
Version:      2.6.1
OS type:      linux
Release Date: Mon Jan  4 23:59:48 2016 (svn exported)

If you use this software please cite:
$TEXT:Reference1: $$ $$
"Phaser Crystallographic Software"
A.J. McCoy, R.W. Grosse-Kunstleve, P.D. Adams, M.D. Winn, L.C. Storoni & R.J. Read
J. Appl. Cryst. (2007). 40, 658-674
PDF

$$




*************************************************************************************
*** Phaser Module: PREPROCESSOR                                             2.6.1 ***
*************************************************************************************

$TEXT:Script: $$ Baubles Markup $$
#---PHASER COMMAND SCRIPT GENERATED BY CCP4I---
TITLE [No title given]
MODE MR_AUTO
ROOT "/home/cqx/Desktop/160418/B-2/CCP4i/0418B2_3"
#---DEFINE DATA---
HKLIN "/home/cqx/Desktop/160418/B-2/CCP4i/P3.mtz"
LABIN  I=IMEAN_New SIGI=SIGIMEAN_New
SGALTERNATIVE SELECT ALL
#---DEFINE ENSEMBLES---
ENSEMBLE ensemble1 &
    PDB "/home/cqx/Desktop/160418/B-2/data/2N2D-model1.pdb" IDENT 100.0
#---DEFINE COMPOSITION---
COMPOSITION BY ASU
COMPOSITION PROTEIN MW 7000 NUMBER 6
#---SEARCH PARAMETERS---
SEARCH ENSEMBLE ensemble1 NUMBER 6
#---EXPERT PARAMETERS---
#---OUTPUT CONTROL---
#---DEVELOPER PARAMETERS---
## This script run with the command   ##########
# /usr/local/xtal/ccp4-7.0/bin/phaser
################################################

$$
CPU Time: 0 days 0 hrs 0 mins 0.00 secs (      0.00 secs)
Finished: Thu Apr 21 17:47:15 2016

*************************************************************************************
*** Phaser Module: READ DATA FROM MTZ FILE                                  2.6.1 ***
*************************************************************************************

   Read from Mtz File
   ------------------
   Data read from mtz file: /home/cqx/Desktop/160418/B-2/CCP4i/P3.mtz
   Space-Group Name (Hall Symbol): P 3 ( P 3)
   Space-Group Number: 143
   Unit Cell:   58.60   58.60   93.98   90.00   90.00  120.00
   Column Labels Selected: IMEAN_New SIGIMEAN_New
   Resolution on Mtz file:  2.72 93.98
   Resolution Selected:     2.72 34.48
   Number of Reflections in Selected Resolution Range: 9368

CPU Time: 0 days 0 hrs 0 mins 0.01 secs (      0.01 secs)
Finished: Thu Apr 21 17:47:15 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Steps:
**    Cell Content Analysis
**    Anisotropy correction
**    Translational NCS correction
**    Rotation Function
**    Translation Function
**    Packing
**    Refinement
**    Final Refinement (if data higher resolution than search resolution)
** Number of search ensembles = 6
** Search Method: FAST
** Input Search Order:
**    #1   ensemble1  
**    #2   ensemble1  
**    #3   ensemble1  
**    #4   ensemble1  
**    #5   ensemble1  
**    #6   ensemble1  
** Automatic (best predicted) search order WILL be used

CPU Time: 0 days 0 hrs 0 mins 0.03 secs (      0.03 secs)
Finished: Thu Apr 21 17:47:15 2016

*************************************************************************************
*** Phaser Module: DATA PREPARATION                                         2.6.1 ***
*************************************************************************************

   Input Space-Group Name (Hall Symbol): P 3 ( P 3)
   Final Space-Group Name (Hall Symbol): P 3 ( P 3)

   No data expansion and/or reindexing required

CPU Time: 0 days 0 hrs 0 mins 0.04 secs (      0.04 secs)
Finished: Thu Apr 21 17:47:15 2016

*************************************************************************************
*** Phaser Module: CELL CONTENT ANALYSIS                                    2.6.1 ***
*************************************************************************************

   Space-Group Name (Hall Symbol): P 3 ( P 3)
   Space-Group Number: 143
   Unit Cell:   58.60   58.60   93.98   90.00   90.00  120.00


--------------------
SPACE GROUP ANALYSIS
--------------------

   Input Space Group: P 3

   (a) Space groups derived by translation (screw) symmetry
   --------------------------------------------------------
   Z   Space Group    Hall Symbol
   ----
   3   P 3            P 3
       P 31           P 31
       P 32           P 32
   ----

   (b) Subgroups of Space Group for perfect twinning expansions
   ------------------------------------------------------------
   R: Reindexing operation required (*)
   Z   Space Group   R Hall Symbol
   ----
   1   P 1             P 1
   ----


   Total Scattering = 136953
   MW of "average" protein to which Matthews applies: 42000
   Resolution for Matthews calculation:  2.72

   Z       MW         VM    % solvent  rel. freq.
   1       42000      2.22  44.55      1.000       <== most probable

   Z is the number of multiples of the total composition
   In most cases the most probable Z value should be 1
   If it is not 1, you may need to consider other compositions


   Histogram of relative frequencies of VM values
   ----------------------------------------------
   Frequency of most common VM value normalized to 1
   VM values plotted in increments of 1/VM (0.02)

        <--- relative frequency --->
        0.0  0.1  0.2  0.3  0.4  0.5  0.6  0.7  0.8  0.9  1.0  
        |    |    |    |    |    |    |    |    |    |    |    
   10.00 -
    8.33 -
    7.14 -
    6.25 -
    5.56 -
    5.00 -
    4.55 -
    4.17 --
    3.85 ----
    3.57 ------
    3.33 ----------
    3.12 ---------------
    2.94 ----------------------
    2.78 ------------------------------
    2.63 ---------------------------------------
    2.50 ----------------------------------------------
    2.38 --------------------------------------------------
    2.27 -------------------------------------------------
    2.17 ******************************************* (COMPOSITION*1)
    2.08 ---------------------------------
    2.00 ---------------------
    1.92 -----------
    1.85 -----
    1.79 --
    1.72 -
    1.67 -
    1.61 -
    1.56 -
    1.52 -
    1.47 -
    1.43 -
    1.39 -
    1.35 -
    1.32 -
    1.28 -
    1.25 -

$TABLE : Cell Content Analysis:
$SCATTER 
:N*Composition vs Probability:0|2x0|1:1,2: 
$$
N*Composition Probability
$$ loggraph $$
1 0.850285
$$


   Most probable VM for resolution = 2.34145
   Most probable MW of protein in asu for resolution = 39788.2

CPU Time: 0 days 0 hrs 0 mins 0.09 secs (      0.09 secs)
Finished: Thu Apr 21 17:47:15 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

   Composition Table
   -----------------
   Total Scattering = 136953
   Search occupancy factor = 1 (default)
   Ensemble                       Frac.Scat. (Search Frac.Scat.) 
   ensemble1                          17.94%              17.94%


-------------------------------------------------------------------------------------
Warning: Search request requires more scattering than defined in composition.
Composition increased to accommodate search components.
-------------------------------------------------------------------------------------


   Composition increased
       from 136953
         to 148909

** Composition Table
** -----------------
** Total Scattering = 148909
** Search occupancy factor = 1 (default)
** Ensemble                       Frac.Scat. (Search Frac.Scat.) 
** ensemble1                          16.50%              16.50%

CPU Time: 0 days 0 hrs 0 mins 0.09 secs (      0.09 secs)
Finished: Thu Apr 21 17:47:15 2016

*************************************************************************************
*** Phaser Module: CELL CONTENT ANALYSIS                                    2.6.1 ***
*************************************************************************************

   Space-Group Name (Hall Symbol): P 3 ( P 3)
   Space-Group Number: 143
   Unit Cell:   58.60   58.60   93.98   90.00   90.00  120.00


--------------------
SPACE GROUP ANALYSIS
--------------------

   Input Space Group: P 3

   (a) Space groups derived by translation (screw) symmetry
   --------------------------------------------------------
   Z   Space Group    Hall Symbol
   ----
   3   P 3            P 3
       P 31           P 31
       P 32           P 32
   ----

   (b) Subgroups of Space Group for perfect twinning expansions
   ------------------------------------------------------------
   R: Reindexing operation required (*)
   Z   Space Group   R Hall Symbol
   ----
   1   P 1             P 1
   ----


   Total Scattering = 148909
   MW of "average" protein to which Matthews applies: 45666
   Resolution for Matthews calculation:  2.72

   Z       MW         VM    % solvent  rel. freq.
   1       45666      2.04  39.71      1.000       <== most probable

   Z is the number of multiples of the total composition
   In most cases the most probable Z value should be 1
   If it is not 1, you may need to consider other compositions


   Histogram of relative frequencies of VM values
   ----------------------------------------------
   Frequency of most common VM value normalized to 1
   VM values plotted in increments of 1/VM (0.02)

        <--- relative frequency --->
        0.0  0.1  0.2  0.3  0.4  0.5  0.6  0.7  0.8  0.9  1.0  
        |    |    |    |    |    |    |    |    |    |    |    
   10.00 -
    8.33 -
    7.14 -
    6.25 -
    5.56 -
    5.00 -
    4.55 -
    4.17 --
    3.85 ----
    3.57 ------
    3.33 ----------
    3.12 ---------------
    2.94 ----------------------
    2.78 ------------------------------
    2.63 ---------------------------------------
    2.50 ----------------------------------------------
    2.38 --------------------------------------------------
    2.27 -------------------------------------------------
    2.17 -------------------------------------------
    2.08 ---------------------------------
    2.00 ********************* (COMPOSITION*1)
    1.92 -----------
    1.85 -----
    1.79 --
    1.72 -
    1.67 -
    1.61 -
    1.56 -
    1.52 -
    1.47 -
    1.43 -
    1.39 -
    1.35 -
    1.32 -
    1.28 -
    1.25 -

$TABLE : Cell Content Analysis:
$SCATTER 
:N*Composition vs Probability:0|2x0|1:1,2: 
$$
N*Composition Probability
$$ loggraph $$
1 0.41022
$$


   Most probable VM for resolution = 2.34145
   Most probable MW of protein in asu for resolution = 39788.2

CPU Time: 0 days 0 hrs 0 mins 0.14 secs (      0.14 secs)
Finished: Thu Apr 21 17:47:15 2016

*************************************************************************************
*** Phaser Module: ANISOTROPY CORRECTION                                    2.6.1 ***
*************************************************************************************


------------------------------
DATA FOR ANISOTROPY CORRECTION
------------------------------


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   2.72  34.48 (9048)


---------------------
ANISOTROPY CORRECTION
---------------------

   Protocol cycle #1 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #2 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Protocol cycle #3 of 3
   Refinement protocol for this macrocycle:
   BIN SCALES: REFINE
   ANISOTROPY: REFINE
   SOLVENT K:  FIX
   SOLVENT B:  FIX

   Outliers with a probability less than 1e-06 will be rejected
   There were 320 (3.4159%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -1.743    0.320       1.372e-09
      4   13  -19   2.74   -2.326    0.391       7.984e-11
      5    8  -27   2.75   -2.395    0.477       2.137e-08
      8    5  -27   2.75   -2.676    0.580       2.087e-07
     13    2  -22   2.75   -1.745    0.272       2.789e-12
     13    2   22   2.75   -1.111    0.266       7.820e-07
     10    8  -18   2.76   -1.656    0.288       1.968e-10
      4    7  -29   2.76   -1.762    0.373       7.957e-08
      7    4  -29   2.76   -2.459    0.458       3.021e-09
     10    3  -26   2.77   -2.076    0.430       5.469e-08
      1    8  -30   2.77   -2.382    0.410       2.005e-10
      8    1  -30   2.77   -3.796    0.437       0.000e+00
      1    8   30   2.77   -2.250    0.366       2.185e-11
      0   11   27   2.78   -1.789    0.413       6.062e-07
      4   13  -18   2.79   -1.683    0.312       1.836e-09
     13    4  -18   2.79   -1.309    0.242       1.323e-09
      2    7  -30   2.80   -1.793    0.324       7.809e-10
      7    2  -30   2.80   -3.527    0.484       9.794e-15
      7    2   30   2.80   -2.398    0.361       7.674e-13
      0    7  -31   2.80   -2.165    0.316       1.534e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -88816.247            -87479.251              1336.995

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.178              0.7382   0.6746  -0.0000
        13.178             -0.6746   0.7382  -0.0000
       -26.356              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  39.533
   Resharpening B (to restore strong direction of diffraction): -26.356
   Wilson scale applied to get observed intensities: 1.4138e-01

   Outliers with a probability less than 1e-06 will be rejected
   There were 300 (3.2024%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -1.324    0.243       1.055e-09
      2    1   34   2.74   -0.301    0.077       7.874e-07
      4   13  -19   2.74   -1.616    0.272       5.645e-11
      5    8  -27   2.75   -0.729    0.145       6.889e-09
      8    5  -27   2.75   -0.815    0.177       6.837e-08
     13    2  -22   2.75   -0.918    0.143       1.493e-12
     13    2   22   2.75   -0.584    0.140       4.216e-07
     10    8  -18   2.76   -1.242    0.216       1.493e-10
      4    7  -29   2.76   -0.415    0.088       1.976e-08
      7    4  -29   2.76   -0.580    0.108       7.541e-10
     10    3  -26   2.77   -0.706    0.146       1.956e-08
      1    8  -30   2.77   -0.490    0.084       4.337e-11
      8    1  -30   2.77   -0.781    0.090       0.000e+00
      1    8   30   2.77   -0.463    0.075       4.691e-12
      0   11   27   2.78   -0.538    0.124       1.928e-07
      4   13  -18   2.79   -1.249    0.232       1.381e-09
     13    4  -18   2.79   -0.972    0.180       9.920e-10
      2    7  -30   2.80   -0.366    0.066       1.660e-10
      7    2  -30   2.80   -0.719    0.099       2.096e-15
      7    2   30   2.80   -0.489    0.074       1.628e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 3 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -87750.523            -87744.549                 5.974

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.843              0.7384   0.6744  -0.0000
        13.843             -0.6744   0.7384  -0.0000
       -27.687              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  41.530
   Resharpening B (to restore strong direction of diffraction): -27.687
   Wilson scale applied to get observed intensities: 1.4206e-01

   Outliers with a probability less than 1e-06 will be rejected
   There were 300 (3.2024%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -1.287    0.236       1.027e-09
      2    1   34   2.74   -0.267    0.068       6.981e-07
      4   13  -19   2.74   -1.564    0.263       5.471e-11
      5    8  -27   2.75   -0.677    0.135       6.408e-09
      8    5  -27   2.75   -0.756    0.164       6.363e-08
     13    2  -22   2.75   -0.876    0.137       1.426e-12
     13    2   22   2.75   -0.558    0.133       4.030e-07
     10    8  -18   2.76   -1.207    0.210       1.452e-10
      4    7  -29   2.76   -0.381    0.081       1.814e-08
      7    4  -29   2.76   -0.531    0.099       6.923e-10
     10    3  -26   2.77   -0.659    0.137       1.829e-08
      1    8  -30   2.77   -0.446    0.077       3.953e-11
      8    1  -30   2.77   -0.711    0.082       0.000e+00
      1    8   30   2.77   -0.421    0.069       4.275e-12
      0   11   27   2.78   -0.499    0.115       1.793e-07
      4   13  -18   2.79   -1.214    0.225       1.343e-09
     13    4  -18   2.79   -0.944    0.175       9.644e-10
      2    7  -30   2.80   -0.333    0.060       1.512e-10
      7    2  -30   2.80   -0.654    0.090       1.910e-15
      7    2   30   2.80   -0.445    0.067       1.483e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -87744.549            -87744.494                 0.055

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.859              0.7383   0.6745  -0.0000
        13.859             -0.6745   0.7383  -0.0000
       -27.718              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  41.577
   Resharpening B (to restore strong direction of diffraction): -27.718
   Wilson scale applied to get observed intensities: 1.4208e-01


   Refined Anisotropy Parameters
   -----------------------------
   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.859              0.7383   0.6745  -0.0000
        13.859             -0.6745   0.7383  -0.0000
       -27.718              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  41.577
   Resharpening B (to restore strong direction of diffraction): -27.718
   Wilson scale applied to get observed intensities: 1.4208e-01


--------------
ABSOLUTE SCALE
--------------

   Scale factor to put input Fs on absolute scale
   Wilson Scale:    2.65302
   Wilson B-factor: 63.6391


------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 0 mins 0.51 secs (      0.51 secs)
Finished: Thu Apr 21 17:47:16 2016

*************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                2.6.1 ***
*************************************************************************************

   Resolution of Data:    2.722
   Number of Reflections: 9368
   eLLG Target:           120

   eLLG Values Computed for All Data
   ---------------------------------
   target-reso: Resolution to achieve target eLLG of 120
   Ensemble                    frac-scat     rms        reso             eLLG
   ensemble1                      0.17     0.362        2.72             91.4 

   Resolution for eLLG target
   --------------------------
   Ensemble                   eLLG-target  target-reso
   ensemble1                       120.00        2.721  



-------------------------------------------------------------------------------------
Advisory: 
eLLG indicates that placement of ensemble "ensemble1" will be difficult
-------------------------------------------------------------------------------------



CPU Time: 0 days 0 hrs 0 mins 0.52 secs (      0.52 secs)
Finished: Thu Apr 21 17:47:16 2016

*************************************************************************************
*** Phaser Module: TRANSLATIONAL NON-CRYSTALLOGRAPHIC SYMMETRY              2.6.1 ***
*************************************************************************************


   Unit Cell:   58.60   58.60   93.98   90.00   90.00  120.00

-------------------------------------
DATA FOR TRANSLATIONAL NCS CORRECTION
-------------------------------------

   Intensity Moments for Data
   --------------------------
   2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment Acentric:             2.95

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.33A (HiRes= 2.72A)

$TABLE : Intensity distribution for Data:
$GRAPHS 
:Cumulative intensity distribution (acentric only):N:1,2,3,4: 
$$
Z ACent_theor ACent_twin ACent_obser
$$ loggraph $$
0 0 0 0.0306809 
0.04 0.0392106 0.0030343 0.0657165 
0.08 0.0768837 0.0115132 0.107284 
0.12 0.11308 0.0245815 0.149644 
0.16 0.147856 0.0414833 0.192993 
0.2 0.181269 0.0615519 0.242082 
0.24 0.213372 0.0842006 0.279295 
0.28 0.244216 0.108914 0.318488 
0.32 0.273851 0.13524 0.359264 
0.36 0.302324 0.162786 0.393508 
0.4 0.32968 0.191208 0.421615 
0.44 0.355964 0.220208 0.450713 
0.48 0.381217 0.24953 0.477831 
0.52 0.405479 0.278952 0.503563 
0.56 0.428791 0.308287 0.525534 
0.6 0.451188 0.337373 0.548892 
0.64 0.472708 0.366075 0.570071 
0.68 0.493383 0.394281 0.593428 
0.72 0.513248 0.421896 0.612629 
0.76 0.532334 0.448846 0.631433 
0.8 0.550671 0.475069 0.646477 
0.84 0.56829 0.500518 0.659541 
0.88 0.585217 0.525156 0.671813 
0.92 0.601481 0.548959 0.683492 
0.96 0.617107 0.571908 0.695566 
1 0.632121 0.593994 0.707245 
1.04 0.646545 0.615215 0.71734 
1.08 0.660404 0.635573 0.726247 
1.12 0.67372 0.655074 0.73555 
1.16 0.686514 0.673732 0.746833 
1.2 0.698806 0.691559 0.754553 
1.24 0.710616 0.708574 0.762668 
1.28 0.721963 0.724795 0.771378 
1.32 0.732865 0.740245 0.778899 
1.36 0.743339 0.754946 0.78365 
1.4 0.753403 0.768922 0.791766 
1.44 0.763072 0.782197 0.799089 
1.48 0.772362 0.794797 0.804434 
1.52 0.781288 0.806747 0.809184 
1.56 0.789864 0.818072 0.814133 
1.6 0.798103 0.828799 0.819873 
1.64 0.80602 0.838951 0.826207 
1.68 0.813626 0.848554 0.831552 
1.72 0.820934 0.857633 0.833927 
1.76 0.827955 0.866211 0.83749 
1.8 0.834701 0.874311 0.841845 
1.84 0.841183 0.881957 0.846002 
1.88 0.84741 0.889169 0.849565 
1.92 0.853393 0.895971 0.852732 
1.96 0.859142 0.902382 0.855503 
2 0.864665 0.908422 0.857878 
$$
---------------------
ANISOTROPY CORRECTION
---------------------

   Outliers with a probability less than 1e-06 will be rejected
   There were 300 (3.2024%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -1.290    0.237       1.029e-09
      2    1   34   2.74   -0.267    0.068       6.981e-07
      4   13  -19   2.74   -1.567    0.264       5.483e-11
      5    8  -27   2.75   -0.678    0.135       6.415e-09
      8    5  -27   2.75   -0.757    0.164       6.371e-08
     13    2  -22   2.75   -0.877    0.137       1.429e-12
     13    2   22   2.75   -0.559    0.134       4.037e-07
     10    8  -18   2.76   -1.210    0.210       1.455e-10
      4    7  -29   2.76   -0.381    0.081       1.815e-08
      7    4  -29   2.76   -0.532    0.099       6.929e-10
     10    3  -26   2.77   -0.660    0.137       1.832e-08
      1    8  -30   2.77   -0.446    0.077       3.956e-11
      8    1  -30   2.77   -0.711    0.082       0.000e+00
      1    8   30   2.77   -0.422    0.069       4.278e-12
      0   11   27   2.78   -0.500    0.116       1.795e-07
      4   13  -18   2.79   -1.216    0.226       1.346e-09
     13    4  -18   2.79   -0.946    0.175       9.664e-10
      2    7  -30   2.80   -0.333    0.060       1.513e-10
      7    2  -30   2.80   -0.655    0.090       1.911e-15
      7    2   30   2.80   -0.445    0.067       1.484e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -87744.494            -87744.468                 0.026

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.870              0.7383   0.6745  -0.0000
        13.870             -0.6745   0.7383  -0.0000
       -27.740              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  41.610
   Resharpening B (to restore strong direction of diffraction): -27.740
   Wilson scale applied to get observed intensities: 1.4207e-01

   Outliers with a probability less than 1e-06 will be rejected
   There were 300 (3.2024%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -1.292    0.237       1.031e-09
      2    1   34   2.74   -0.267    0.068       6.982e-07
      4   13  -19   2.74   -1.570    0.264       5.491e-11
      5    8  -27   2.75   -0.678    0.135       6.421e-09
      8    5  -27   2.75   -0.758    0.164       6.376e-08
     13    2  -22   2.75   -0.878    0.137       1.431e-12
     13    2   22   2.75   -0.559    0.134       4.042e-07
     10    8  -18   2.76   -1.212    0.211       1.458e-10
      4    7  -29   2.76   -0.381    0.081       1.816e-08
      7    4  -29   2.76   -0.532    0.099       6.933e-10
     10    3  -26   2.77   -0.660    0.137       1.833e-08
      1    8  -30   2.77   -0.447    0.077       3.958e-11
      8    1  -30   2.77   -0.712    0.082       0.000e+00
      1    8   30   2.77   -0.422    0.069       4.280e-12
      0   11   27   2.78   -0.500    0.116       1.796e-07
      4   13  -18   2.79   -1.218    0.226       1.348e-09
     13    4  -18   2.79   -0.947    0.175       9.679e-10
      2    7  -30   2.80   -0.333    0.060       1.513e-10
      7    2  -30   2.80   -0.655    0.090       1.912e-15
      7    2   30   2.80   -0.445    0.067       1.484e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -87744.468            -87744.457                 0.011

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.877              0.7382   0.6745  -0.0000
        13.877             -0.6745   0.7382  -0.0000
       -27.755              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  41.632
   Resharpening B (to restore strong direction of diffraction): -27.755
   Wilson scale applied to get observed intensities: 1.4207e-01

   Outliers with a probability less than 1e-06 will be rejected
   There were 300 (3.2024%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -1.293    0.238       1.032e-09
      2    1   34   2.74   -0.267    0.068       6.982e-07
      4   13  -19   2.74   -1.571    0.264       5.496e-11
      5    8  -27   2.75   -0.679    0.135       6.424e-09
      8    5  -27   2.75   -0.758    0.164       6.379e-08
     13    2  -22   2.75   -0.879    0.137       1.432e-12
     13    2   22   2.75   -0.560    0.134       4.045e-07
     10    8  -18   2.76   -1.213    0.211       1.459e-10
      4    7  -29   2.76   -0.381    0.081       1.817e-08
      7    4  -29   2.76   -0.532    0.099       6.935e-10
     10    3  -26   2.77   -0.661    0.137       1.834e-08
      1    8  -30   2.77   -0.447    0.077       3.959e-11
      8    1  -30   2.77   -0.712    0.082       0.000e+00
      1    8   30   2.77   -0.422    0.069       4.281e-12
      0   11   27   2.78   -0.501    0.116       1.797e-07
      4   13  -18   2.79   -1.219    0.226       1.349e-09
     13    4  -18   2.79   -0.948    0.175       9.688e-10
      2    7  -30   2.80   -0.333    0.060       1.514e-10
      7    2  -30   2.80   -0.655    0.090       1.912e-15
      7    2   30   2.80   -0.446    0.067       1.485e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -87744.457            -87744.452                 0.005

   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.882              0.7383   0.6745  -0.0000
        13.882             -0.6745   0.7383  -0.0000
       -27.765              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  41.647
   Resharpening B (to restore strong direction of diffraction): -27.765
   Wilson scale applied to get observed intensities: 1.4207e-01


   Refined Anisotropy Parameters
   -----------------------------
   Principal components of anisotropic part of B affecting observed amplitudes:
     eigenB (A^2)     direction cosines (orthogonal coordinates)
        13.882              0.7383   0.6745  -0.0000
        13.882             -0.6745   0.7383  -0.0000
       -27.765              0.0000   0.0000   1.0000
   Anisotropic deltaB (i.e. range of principal components):  41.647
   Resharpening B (to restore strong direction of diffraction): -27.765
   Wilson scale applied to get observed intensities: 1.4207e-01


   Intensity Moments after Anisotropy Correction
   ---------------------------------------------
   2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment Acentric:             2.44

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.33A (HiRes= 2.72A)

$TABLE : Intensity distribution after Anisotropy Correction:
$GRAPHS 
:Cumulative intensity distribution (acentric only):N:1,2,3,4: 
$$
Z ACent_theor ACent_twin ACent_obser
$$ loggraph $$
0 0 0 0.0308544 
0.04 0.0392106 0.0030343 0.0626978 
0.08 0.0768837 0.0115132 0.102255 
0.12 0.11308 0.0245815 0.139438 
0.16 0.147856 0.0414833 0.174446 
0.2 0.181269 0.0615519 0.213608 
0.24 0.213372 0.0842006 0.247429 
0.28 0.244216 0.108914 0.278481 
0.32 0.273851 0.13524 0.309138 
0.36 0.302324 0.162786 0.337223 
0.4 0.32968 0.191208 0.367682 
0.44 0.355964 0.220208 0.393196 
0.48 0.381217 0.24953 0.424446 
0.52 0.405479 0.278952 0.448576 
0.56 0.428791 0.308287 0.475079 
0.6 0.451188 0.337373 0.500791 
0.64 0.472708 0.366075 0.523536 
0.68 0.493383 0.394281 0.545293 
0.72 0.513248 0.421896 0.56606 
0.76 0.532334 0.448846 0.587619 
0.8 0.550671 0.475069 0.60443 
0.84 0.56829 0.500518 0.622824 
0.88 0.585217 0.525156 0.637263 
0.92 0.601481 0.548959 0.654074 
0.96 0.617107 0.571908 0.665744 
1 0.632121 0.593994 0.678995 
1.04 0.646545 0.615215 0.690467 
1.08 0.660404 0.635573 0.700356 
1.12 0.67372 0.655074 0.710641 
1.16 0.686514 0.673732 0.721519 
1.2 0.698806 0.691559 0.730222 
1.24 0.710616 0.708574 0.741891 
1.28 0.721963 0.724795 0.752967 
1.32 0.732865 0.740245 0.761669 
1.36 0.743339 0.754946 0.772745 
1.4 0.753403 0.768922 0.780063 
1.44 0.763072 0.782197 0.787975 
1.48 0.772362 0.794797 0.796479 
1.52 0.781288 0.806747 0.802413 
1.56 0.789864 0.818072 0.809138 
1.6 0.798103 0.828799 0.815269 
1.64 0.80602 0.838951 0.820609 
1.68 0.813626 0.848554 0.824763 
1.72 0.820934 0.857633 0.829312 
1.76 0.827955 0.866211 0.837025 
1.8 0.834701 0.874311 0.841574 
1.84 0.841183 0.881957 0.846717 
1.88 0.84741 0.889169 0.851859 
1.92 0.853393 0.895971 0.855815 
1.96 0.859142 0.902382 0.859375 
2 0.864665 0.908422 0.86432 
$$
   Space Group :       P 3
   Patterson Symmetry: P -3
   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Patterson (Number):       5.00   9.92 (1340)

   There was 1 non-origin distinct peak (i.e. over 20% of origin peak and more than
   15 angstroms from the origin)

   Sorted by Height
   ----------------
   Height Distance   Vector
    40.5%   29.3 :   FRAC +0.0000 +0.5000 +0.0000   (ORTH  -14.6   25.4    0.0)

   Unit Cell:   58.60   58.60   93.98   90.00   90.00  120.00

   Expanded by Symmetry and Sorted by Distance from Origin
   -------------------------------------------------------
   Height Distance   Vector
    40.5%  29.3  :   FRAC +0.0000 +0.5000 +0.0000   (ORTH  -14.6   25.4    0.0)
    40.5%  29.3  :   FRAC +0.5000 +0.0000 +0.0000   (ORTH   29.3    0.0    0.0)
    40.5%  29.3  :   FRAC +0.5000 +0.5000 +0.0000   (ORTH   14.6   25.4    0.0)

-------------
NMOL ANALYSIS
-------------

   Input NMOL: 2 (default = 2)

   Estimate NMOL from Patterson spatial frequency analysis
   Three measures of reliability of the NMOL estimate are given
   %Top:
      Strength of the frequency analysis signal
         Indicator is excellent when %Top > 95
   tol-frac:
      The maximum fractional difference (in x, y, or z) between the freq*tNCS-vector
      and an exact unit cell repeat
         Indicator is poor when tol-frac > 0.02
   tol-orth:
      The length of the vector difference between freq*tncs-vector and a unit cell
      repeat in orthogonal Angstroms
         Indicator is poor when tol-orth > 3.00

   Patterson Spatial Frequency Analysis
   ------------------------------------
   %Top   Frequency (3D)  tNCS-vector              NMOL  tol-frac  tol-orth
    97.9    0   2   0     +0.0000 +0.5000 +0.0000     2  0.000000      0.00

----------------------------
TRANSLATIONAL NCS REFINEMENT
----------------------------

   Special Position Perturbation
   -----------------------------
   NCS translation on special position with M = 2
      NCS translation vector = 0 0.5 0
   Starting point for refinement will be shifted from special position.
   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Data (Number):           2.72  34.48 (9368)
      NCS translation has been perturbed in X
      NCS translation has been perturbed in Y
      NCS translation has been perturbed in Z
      NCS translation perturbed by (orthogonal angstroms): 0.227 0.393 0.454
   NCS translation has been set to -0.00774103 0.492259 -0.00482678

   Protocol cycle #1 of 3
   Refinement protocol for this macrocycle:
   ROTATION:    REFINE
   TRANSLATION: REFINE
   VARIANCES:   REFINE

   Protocol cycle #2 of 3
   Refinement protocol for this macrocycle:
   ROTATION:    REFINE
   TRANSLATION: REFINE
   VARIANCES:   REFINE

   Protocol cycle #3 of 3
   Refinement protocol for this macrocycle:
   ROTATION:    REFINE
   TRANSLATION: REFINE
   VARIANCES:   REFINE

   There are 5 tncs parameter sets to refine
   Spreading calculation onto 2 threads.
   Refining tNCS parameters
   0%  100%
   |====| DONE


   TNCS REFINEMENT #1 OF 5
   -----------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 19 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86641.959            -86535.452               106.507

   Ncs Translation Vector                        =  0.0001  0.5003 -0.0069
   Rotational Deviation of NCS related structure =  0.0000  0.0000  0.0000
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4869

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.452            -86535.443                 0.009

   Ncs Translation Vector                        =  0.0001  0.5004 -0.0069
   Rotational Deviation of NCS related structure =  0.0000  0.0000  0.0000
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4869

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.443            -86535.442                 0.001

   Ncs Translation Vector                        =  0.0001  0.5004 -0.0069
   Rotational Deviation of NCS related structure =  0.0000  0.0000  0.0000
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4869

   TNCS REFINEMENT #2 OF 5
   -----------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 20 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86638.218            -86535.395               102.823

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure =  0.0413 -0.0762 -0.0150
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4760

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.395            -86535.395                 0.001

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure =  0.0413 -0.0762 -0.0150
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4760

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.395            -86535.394                 0.000

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure =  0.0413 -0.0762 -0.0150
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4760

   TNCS REFINEMENT #3 OF 5
   -----------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 19 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86646.161            -86535.510               110.651

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure = -0.0236 -0.0682 -0.0007
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4750

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.510            -86535.510                 0.000

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure = -0.0236 -0.0682 -0.0007
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4750

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.510            -86535.510                 0.000

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure = -0.0236 -0.0682 -0.0007
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4750


   TNCS REFINEMENT #4 OF 5
   -----------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 19 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86649.886            -86535.435               114.451

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0070
   Rotational Deviation of NCS related structure = -0.0323  0.0855 -0.0526
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4903

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.435            -86535.428                 0.007

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure = -0.0323  0.0855 -0.0526
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4903

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.428            -86535.427                 0.001

   Ncs Translation Vector                        =  0.0002  0.5004 -0.0069
   Rotational Deviation of NCS related structure = -0.0323  0.0855 -0.0526
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4903

   TNCS REFINEMENT #5 OF 5
   -----------------------
   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 14 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86639.677            -86536.133               103.544

   Ncs Translation Vector                        =  0.0005  0.5006 -0.0069
   Rotational Deviation of NCS related structure = -0.0527 -0.1220 -0.0071
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4582

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 3 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86536.133            -86535.383                 0.750

   Ncs Translation Vector                        =  0.0003  0.5005 -0.0069
   Rotational Deviation of NCS related structure =  0.0205 -0.0183  0.0005
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4711

   Performing Optimization...
      Done
   --- Convergence before iteration limit (100) at cycle 1 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
      -86535.383            -86535.382                 0.001

   Ncs Translation Vector                        =  0.0003  0.5005 -0.0069
   Rotational Deviation of NCS related structure =  0.0205 -0.0183  0.0005
      for effective molecular radius = 17.716
   D corresponding to RMS deviation of NCS related structure:
      Range (Resolution 34.479 - 2.722):             0.9999 - 0.4711


   Table of Results of Refinements from Perturbed Starting Rotations
   -----------------------------------------------------------------
   #  Initial Rot'n      Refined Rot'n      (Angle) Refined Translation   LLgain     
   1   +0.00 +0.00 +0.00  +0.00 +0.00 +0.00 ( 0.00) +0.000 +0.500 -0.007     -0.061  
   2   +0.33 -0.83 -0.62  +0.04 -0.08 -0.02 (-0.09) +0.000 +0.500 -0.007     -0.014  
   3   +0.33 +1.07 -0.62  -0.02 -0.07 -0.00 (-0.07) +0.000 +0.500 -0.007     -0.129  
   4   +1.43 -0.20 +1.17  -0.03 +0.09 -0.05 ( 0.11) +0.000 +0.500 -0.007     -0.046  
   5   +0.33 +1.71 +1.17  +0.02 -0.02 +0.00 ( 0.03) +0.000 +0.500 -0.007     -0.001 *
   Angle Perturbation Sampling = 2.19954
   Angle Perturbation Range = 2.41949


   Translational NCS Refinement
   ----------------------------
   Test rotation #5
      Final angle  :  0.0205 -0.0183  0.0005
      Final vector :  0.0003  0.5005 -0.0069
      tNCS D-values by resolution (low-high) : 0.9999 0.4711


   Intensity Moments after tNCS (best) refinement
   ----------------------------------------------
   2nd Moment = /^2 == /^2
                        Untwinned   Perfect Twin
   2nd Moment  Centric:    3.0          2.0
   2nd Moment Acentric:    2.0          1.5
                               Measured
   2nd Moment Acentric:             1.94

   Resolution for Twin Analysis (85% I/SIGI > 3):  3.33A (HiRes= 2.72A)

$TABLE : Intensity distribution after tNCS (best) refinement:
$GRAPHS 
:Cumulative intensity distribution (acentric only):N:1,2,3,4: 
$$
Z ACent_theor ACent_twin ACent_obser
$$ loggraph $$
0 0 0 0.0308544 
0.04 0.0392106 0.0030343 0.054193 
0.08 0.0768837 0.0115132 0.0789161 
0.12 0.11308 0.0245815 0.108188 
0.16 0.147856 0.0414833 0.134691 
0.2 0.181269 0.0615519 0.16159 
0.24 0.213372 0.0842006 0.193631 
0.28 0.244216 0.108914 0.224486 
0.32 0.273851 0.13524 0.25534 
0.36 0.302324 0.162786 0.286788 
0.4 0.32968 0.191208 0.31606 
0.44 0.355964 0.220208 0.342761 
0.48 0.381217 0.24953 0.370649 
0.52 0.405479 0.278952 0.396163 
0.56 0.428791 0.308287 0.423062 
0.6 0.451188 0.337373 0.453521 
0.64 0.472708 0.366075 0.481013 
0.68 0.493383 0.394281 0.504747 
0.72 0.513248 0.421896 0.527294 
0.76 0.532334 0.448846 0.550237 
0.8 0.550671 0.475069 0.572191 
0.84 0.56829 0.500518 0.592168 
0.88 0.585217 0.525156 0.610759 
0.92 0.601481 0.548959 0.628956 
0.96 0.617107 0.571908 0.645965 
1 0.632121 0.593994 0.660799 
1.04 0.646545 0.615215 0.678006 
1.08 0.660404 0.635573 0.691851 
1.12 0.67372 0.655074 0.706685 
1.16 0.686514 0.673732 0.719343 
1.2 0.698806 0.691559 0.731606 
1.24 0.710616 0.708574 0.743078 
1.28 0.721963 0.724795 0.755934 
1.32 0.732865 0.740245 0.767998 
1.36 0.743339 0.754946 0.777888 
1.4 0.753403 0.768922 0.786986 
1.44 0.763072 0.782197 0.795095 
1.48 0.772362 0.794797 0.80538 
1.52 0.781288 0.806747 0.812698 
1.56 0.789864 0.818072 0.822389 
1.6 0.798103 0.828799 0.829707 
1.64 0.80602 0.838951 0.837816 
1.68 0.813626 0.848554 0.844343 
1.72 0.820934 0.857633 0.852255 
1.76 0.827955 0.866211 0.860562 
1.8 0.834701 0.874311 0.865902 
1.84 0.841183 0.881957 0.872231 
1.88 0.84741 0.889169 0.877373 
1.92 0.853393 0.895971 0.884691 
1.96 0.859142 0.902382 0.892009 
2 0.864665 0.908422 0.896756 
$$

   Histogram of Epsilon Factors
   ----------------------------
      Minimum EpsFac = 0.6666
      Maximum EpsFac = 1.9999
      Mean    EpsFac = 0.9956 for 9368 reflections

   Mid EpsFac Bin Value
    |    0         828       1656      2484      3312      4140      
    V    |         |         |         |         |         |         
   0.0  
   0.1  
   0.2  
   0.3  
   0.4  
   0.5  
   0.6  
   0.7  ************************************************** (4140)
   0.8  *********************** (1890)
   0.9  ************ (921)
   1.0  ** (107)
   1.1  * (37)
   1.2  * (61)
   1.3  ** (93)
   1.4  ** (156)
   1.5  ** (158)
   1.6  *** (196)
   1.7  **** (267)
   1.8  **** (305)
   1.9  ******* (509)
   2.0  ******* (528)


--------
TWINNING
--------

   tNCS/Twin Detection Table
   -------------------------
                                 -Second Moments-            --P-values--
                                 Centric Acentric      untwinned  twin frac <5%
   Theoretical for untwinned     3.00    2.00    
   Theoretical for perfect twin  2.00    1.50    
   Initial (data as input)       0.00    2.95+/-0.143  1          1         
   After Anisotropy Correction   0.00    2.44+/-0.096  1          1         
   After Anisotropy and tNCS     0.00    1.94+/-0.064  0.193      1         

   P-value < 0.01 for <5% twinned is considered significant
   Resolution for Twin Analysis (85% I/SIGI > 3):  3.33A (HiRes= 2.72A)


------------
OUTPUT FILES
------------

   No files output


CPU Time: 0 days 0 hrs 0 mins 7.77 secs (      7.77 secs)
Finished: Thu Apr 21 17:47:20 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

   Input Search Components
   -----------------------
      Ensemble "ensemble1" : #copies = 6

   Translational NCS Edited Sets of Search Components
   --------------------------------------------------
      Ensemble "ensemble1" : #sets = 3

CPU Time: 0 days 0 hrs 0 mins 7.77 secs (      7.77 secs)
Finished: Thu Apr 21 17:47:20 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Z-score test for definite solution is ON
** Z-score test for stopping search is OFF
** Deep search is ON

CPU Time: 0 days 0 hrs 0 mins 7.77 secs (      7.77 secs)
Finished: Thu Apr 21 17:47:20 2016

*************************************************************************************
*** Phaser Module: EXPERIMENTAL ERROR CORRECTION PREPARATION                2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-----------------------------
EXPERIMENTAL ERROR CORRECTION
-----------------------------

   Calculate Luzzati D factors accounting for observational error...


   Data have been provided as intensities


------------
OUTPUT FILES
------------

   No files output


CPU Time: 0 days 0 hrs 0 mins 7.91 secs (      7.91 secs)
Finished: Thu Apr 21 17:47:20 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Search Order (next search *) (placed +):
**    #1   ensemble1 *
**    #2   ensemble1  
**    #3   ensemble1  

CPU Time: 0 days 0 hrs 0 mins 7.91 secs (      7.91 secs)
Finished: Thu Apr 21 17:47:20 2016

*************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                2.6.1 ***
*************************************************************************************

   Resolution of Data:    2.722
   Number of Reflections: 9368
   eLLG Target:           120

   eLLG Values Computed for All Data
   ---------------------------------
   target-reso: Resolution to achieve target eLLG of 120
   Ensemble                    frac-scat     rms        reso             eLLG
   ensemble1                      0.17     0.362        2.72             91.4 

   Resolution for eLLG target
   --------------------------
   Ensemble                   eLLG-target  target-reso
   ensemble1                       120.00        2.721  

CPU Time: 0 days 0 hrs 0 mins 7.92 secs (      7.92 secs)
Finished: Thu Apr 21 17:47:20 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                  2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------


   High resolution limit unaltered by RMS of ensemble
   High resolution limit unaltered by expected LLG


   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   2.72  34.48 (9072)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (9072)
                               - half number of centrics (0/2)
                             = -9072
   With correction for SigF,
      Wilson log(likelihood) = -7830.15

----------
ENSEMBLING
----------

   Ensemble Generation: ensemble1
   ------------------------------
   Ensemble configured for structure factor interpolation
   Ensemble configured to resolution  2.72
   PDB file # 1: 2N2D-model1.pdb
      This pdb file contains 1 model
      The input RmsD of model #1 with respect to the real structure is  0.36

   Electron Density Calculation
   0%      100%
   |=======| DONE

   VRMS delta lower/upper limit = 0.317145 / 4.279548
      RMSD upper limit(s):  2.10
      RMSD lower limit(s):  0.67

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

-----------------
ROTATION FUNCTION
-----------------

   Elmn for Search Ensemble
   Spreading calculation onto 2 threads.
   Elmn Calculation for Search Ensemble
   0%                                                               100%
   |================================================================| DONE

   Target Function: FAST LERF1

-------------------------
ROTATION FUNCTION #1 OF 1
-------------------------

   Search Ensemble: ensemble1

   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  6.15 degrees

   SOLU SET 

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                   100%
   |====================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%               100%
   |================| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 5484 sites over 67.5% of top
   5484 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       79.1  139.4  107.2    100.000  3.19
   2      200.8  138.4  107.0     99.834  3.18
   3      322.4  137.5  106.8     99.822  3.18
   #Sites = 5484: output truncated to 3 sites

   Top 5484 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #1 of 1
   0%                                                                          100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #1 of 1
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  171.252   ( 3.14)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 700 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      273.8  108.0  140.2     171.25  3.14   0.0     24     94.462/    94.462
   2      182.7   68.0  325.1     161.64  3.05 179.6     25     94.667/    94.667
   3      165.3   68.6  324.6     157.19  3.01 179.7     15     91.658/    93.507
   #SITES = 700: OUTPUT TRUNCATED TO 3 SITES


   Rotation Function Table: ensemble1
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1        171.25   3.14      161.64   3.05      157.19   3.01


---------------
FINAL SELECTION
---------------


   Select by Percentage of Top value: 75%
   Top RF = 171.252
   Purge RF mean = -162.074
   Number of sets stored before final selection = 1
   Number of solutions stored before final selection = 700
   Number of sets stored (deleted) after final selection = 1 (0)
   Number of solutions stored (deleted) after final selection = 700 (0)
   Percent used for purge = 60%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 485 (215)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  485   485         -                 700   700         -
   ALL   485   485                           700   700  


$TABLE : Rotation Function Component #1 (ensemble1) :
$GRAPHS 
:RF Number vs LL-gain:AUTO:1,2: :RF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1     171.25  3.14
2     161.64  3.05
3     157.19  3.01
4     156.03  3.00
5     155.02  2.99
6     153.57  2.98
7     152.87  2.97
8     151.92  2.96
9     150.96  2.95
10     149.95  2.94
11     148.43  2.93
12     147.33  2.92
13     146.64  2.91
14     146.14  2.91
15     145.92  2.90
16     145.73  2.90
17     145.72  2.90
18     145.27  2.90
19     145.13  2.90
20     144.61  2.89
21     144.37  2.89
22     144.25  2.89
23     144.14  2.89
24     143.86  2.88
25     143.81  2.88
26     143.81  2.88
27     143.23  2.88
28     143.14  2.88
29     143.11  2.88
30     143.02  2.88
31     143.00  2.88
32     142.53  2.87
33     142.22  2.87
34     141.98  2.87
35     141.89  2.87
36     141.44  2.86
37     140.85  2.86
38     140.74  2.85
39     140.62  2.85
40     140.27  2.85
41     139.78  2.85
42     139.77  2.85
43     139.48  2.84
44     139.45  2.84
45     139.27  2.84
46     139.08  2.84
47     138.78  2.84
48     138.40  2.83
49     138.37  2.83
50     138.26  2.83
51     137.62  2.83
52     137.60  2.83
53     137.37  2.82
54     137.22  2.82
55     136.68  2.82
56     136.54  2.82
57     136.10  2.81
58     136.06  2.81
59     135.92  2.81
60     135.86  2.81
61     135.81  2.81
62     135.77  2.81
63     135.65  2.81
64     135.08  2.80
65     135.00  2.80
66     134.74  2.80
67     134.35  2.79
68     134.09  2.79
69     134.00  2.79
70     133.72  2.79
71     133.69  2.79
72     133.28  2.78
73     133.27  2.78
74     133.02  2.78
75     132.94  2.78
76     132.94  2.78
77     132.77  2.78
78     132.72  2.78
79     132.66  2.78
80     132.65  2.78
81     132.62  2.78
82     132.60  2.78
83     132.57  2.78
84     132.49  2.78
85     132.39  2.78
86     132.34  2.78
87     131.46  2.77
88     131.41  2.77
89     131.33  2.77
90     131.30  2.77
91     131.14  2.76
92     131.12  2.76
93     130.81  2.76
94     130.79  2.76
95     130.71  2.76
96     130.62  2.76
97     130.58  2.76
98     130.41  2.76
99     130.04  2.75
100     129.97  2.75
101     129.94  2.75
102     129.90  2.75
103     129.81  2.75
104     129.77  2.75
105     129.67  2.75
106     129.64  2.75
107     129.62  2.75
108     129.34  2.75
109     129.24  2.75
110     129.21  2.75
111     129.18  2.75
112     129.12  2.75
113     128.94  2.74
114     128.71  2.74
115     128.68  2.74
116     128.68  2.74
117     128.66  2.74
118     128.34  2.74
119     128.31  2.74
120     128.18  2.74
121     128.17  2.74
122     128.11  2.74
123     128.08  2.74
124     128.02  2.73
125     128.00  2.73
126     127.64  2.73
127     127.50  2.73
128     127.45  2.73
129     127.44  2.73
130     127.27  2.73
131     127.24  2.73
132     127.09  2.73
133     127.06  2.73
134     126.87  2.72
135     126.71  2.72
136     125.96  2.72
137     125.94  2.72
138     125.90  2.71
139     125.87  2.71
140     125.83  2.71
141     125.50  2.71
142     125.50  2.71
143     125.39  2.71
144     125.36  2.71
145     125.30  2.71
146     125.07  2.71
147     125.03  2.71
148     124.76  2.70
149     124.39  2.70
150     124.19  2.70
151     123.93  2.70
152     123.89  2.70
153     123.86  2.70
154     123.67  2.69
155     123.41  2.69
156     123.32  2.69
157     123.23  2.69
158     123.19  2.69
159     123.16  2.69
160     123.06  2.69
161     122.99  2.69
162     122.90  2.69
163     122.65  2.68
164     122.54  2.68
165     122.51  2.68
166     122.39  2.68
167     122.38  2.68
168     122.24  2.68
169     122.14  2.68
170     122.14  2.68
171     122.06  2.68
172     121.42  2.67
173     121.31  2.67
174     121.25  2.67
175     121.21  2.67
176     121.09  2.67
177     120.89  2.67
178     120.83  2.67
179     120.77  2.67
180     120.65  2.67
181     120.56  2.66
182     120.48  2.66
183     120.45  2.66
184     120.38  2.66
185     120.30  2.66
186     120.23  2.66
187     120.21  2.66
188     120.21  2.66
189     119.97  2.66
190     119.96  2.66
191     119.94  2.66
192     119.91  2.66
193     119.87  2.66
194     119.70  2.66
195     119.38  2.65
196     119.34  2.65
197     119.24  2.65
198     119.22  2.65
199     119.13  2.65
200     119.10  2.65
201     118.83  2.65
202     118.37  2.64
203     118.20  2.64
204     118.12  2.64
205     118.10  2.64
206     118.04  2.64
207     117.98  2.64
208     117.98  2.64
209     117.94  2.64
210     117.89  2.64
211     117.86  2.64
212     117.77  2.64
213     117.70  2.64
214     117.68  2.64
215     117.66  2.64
216     117.62  2.64
217     117.56  2.64
218     117.40  2.63
219     117.37  2.63
220     117.18  2.63
221     117.10  2.63
222     116.86  2.63
223     116.73  2.63
224     116.62  2.63
225     116.57  2.63
226     116.31  2.62
227     116.29  2.62
228     116.28  2.62
229     116.20  2.62
230     116.15  2.62
231     116.13  2.62
232     115.77  2.62
233     115.58  2.62
234     115.45  2.62
235     115.34  2.62
236     115.29  2.61
237     115.24  2.61
238     115.16  2.61
239     114.89  2.61
240     114.87  2.61
241     114.74  2.61
242     114.73  2.61
243     114.40  2.61
244     114.07  2.60
245     114.06  2.60
246     113.95  2.60
247     113.77  2.60
248     113.73  2.60
249     113.61  2.60
250     113.57  2.60
251     113.28  2.60
252     113.22  2.60
253     113.18  2.59
254     113.00  2.59
255     112.50  2.59
256     112.30  2.59
257     112.29  2.59
258     112.21  2.59
259     112.05  2.58
260     111.79  2.58
261     111.78  2.58
262     111.62  2.58
263     111.54  2.58
264     111.35  2.58
265     111.18  2.58
266     111.11  2.58
267     111.02  2.57
268     110.97  2.57
269     110.73  2.57
270     110.51  2.57
271     110.27  2.57
272     110.25  2.57
273     110.15  2.57
274     110.06  2.57
275     110.04  2.57
276     109.72  2.56
277     109.70  2.56
278     109.69  2.56
279     109.61  2.56
280     109.37  2.56
281     109.30  2.56
282     108.97  2.56
283     108.97  2.56
284     108.64  2.55
285     108.56  2.55
286     108.47  2.55
287     108.41  2.55
288     108.34  2.55
289     108.34  2.55
290     108.32  2.55
291     108.29  2.55
292     108.20  2.55
293     108.06  2.55
294     107.88  2.54
295     107.81  2.54
296     107.75  2.54
297     107.51  2.54
298     107.31  2.54
299     107.28  2.54
300     107.23  2.54
301     107.18  2.54
302     107.15  2.54
303     107.12  2.54
304     107.06  2.54
305     107.02  2.54
306     106.92  2.54
307     106.72  2.53
308     106.62  2.53
309     106.53  2.53
310     106.31  2.53
311     106.28  2.53
312     106.25  2.53
313     106.23  2.53
314     106.18  2.53
315     106.17  2.53
316     106.06  2.53
317     106.05  2.53
318     105.98  2.53
319     105.97  2.53
320     105.75  2.52
321     105.62  2.52
322     105.33  2.52
323     105.29  2.52
324     105.22  2.52
325     105.14  2.52
326     105.12  2.52
327     105.06  2.52
328     105.04  2.52
329     104.95  2.52
330     104.92  2.52
331     104.83  2.52
332     104.78  2.52
333     104.69  2.51
334     104.68  2.51
335     104.46  2.51
336     104.33  2.51
337     104.20  2.51
338     104.08  2.51
339     103.94  2.51
340     103.80  2.51
341     103.61  2.50
342     103.49  2.50
343     103.43  2.50
344     103.39  2.50
345     103.28  2.50
346     103.15  2.50
347     103.11  2.50
348     103.01  2.50
349     103.01  2.50
350     102.86  2.50
351     102.77  2.50
352     102.74  2.50
353     102.67  2.50
354     102.63  2.50
355     102.59  2.50
356     102.49  2.49
357     102.42  2.49
358     102.28  2.49
359     102.22  2.49
360     102.17  2.49
361     102.17  2.49
362     102.16  2.49
363     102.14  2.49
364     101.96  2.49
365     101.91  2.49
366     101.88  2.49
367     101.50  2.48
368     101.37  2.48
369     101.33  2.48
370     101.30  2.48
371     101.18  2.48
372     101.11  2.48
373     101.10  2.48
374     100.95  2.48
375     100.86  2.48
376     100.84  2.48
377     100.81  2.48
378     100.78  2.48
379     100.64  2.48
380     100.61  2.48
381     100.60  2.48
382     100.58  2.48
383     100.52  2.48
384     100.42  2.47
385     100.33  2.47
386     100.18  2.47
387     100.16  2.47
388     100.09  2.47
389     100.04  2.47
390      99.93  2.47
391      99.84  2.47
392      99.73  2.47
393      99.71  2.47
394      99.70  2.47
395      99.69  2.47
396      99.64  2.47
397      99.44  2.47
398      98.76  2.46
399      98.67  2.46
400      98.62  2.46
401      98.47  2.46
402      98.17  2.45
403      98.16  2.45
404      98.15  2.45
405      98.14  2.45
406      98.04  2.45
407      97.92  2.45
408      97.88  2.45
409      97.85  2.45
410      97.77  2.45
411      97.54  2.45
412      97.32  2.45
413      96.86  2.44
414      96.83  2.44
415      96.77  2.44
416      96.73  2.44
417      96.65  2.44
418      96.44  2.44
419      96.32  2.44
420      96.31  2.44
421      96.27  2.44
422      96.24  2.44
423      96.15  2.43
424      96.07  2.43
425      95.91  2.43
426      95.64  2.43
427      95.55  2.43
428      95.52  2.43
429      95.50  2.43
430      95.40  2.43
431      95.25  2.43
432      95.16  2.43
433      95.03  2.42
434      94.80  2.42
435      94.68  2.42
436      94.59  2.42
437      94.10  2.42
438      93.91  2.41
439      93.72  2.41
440      93.71  2.41
441      93.40  2.41
442      93.03  2.40
443      92.97  2.40
444      92.94  2.40
445      92.80  2.40
446      92.70  2.40
447      92.52  2.40
448      92.44  2.40
449      92.42  2.40
450      92.38  2.40
451      92.28  2.40
452      92.26  2.40
453      92.20  2.40
454      92.11  2.40
455      92.08  2.40
456      91.84  2.39
457      91.69  2.39
458      91.53  2.39
459      91.50  2.39
460      91.39  2.39
461      91.14  2.39
462      91.11  2.39
463      91.02  2.39
464      90.88  2.38
465      90.84  2.38
466      90.77  2.38
467      90.53  2.38
468      90.44  2.38
469      90.20  2.38
470      90.17  2.38
471      90.03  2.38
472      89.84  2.37
473      89.67  2.37
474      89.19  2.37
475      89.11  2.37
476      88.75  2.36
477      88.61  2.36
478      88.48  2.36
479      88.46  2.36
480      88.44  2.36
481      88.35  2.36
482      88.32  2.36
483      88.15  2.36
484      87.98  2.36
485      87.95  2.36
486      87.79  2.36
487      87.78  2.36
488      87.54  2.35
489      87.45  2.35
490      87.32  2.35
491      87.30  2.35
492      87.20  2.35
493      87.08  2.35
494      87.02  2.35
495      86.99  2.35
496      86.93  2.35
497      86.72  2.35
498      86.61  2.34
499      86.60  2.34
500      86.49  2.34
501      86.28  2.34
502      86.24  2.34
503      86.09  2.34
504      86.07  2.34
505      85.77  2.34
506      85.71  2.34
507      85.68  2.34
508      85.57  2.33
509      85.54  2.33
510      85.52  2.33
511      84.86  2.33
512      84.79  2.33
513      84.78  2.33
514      84.65  2.33
515      84.38  2.32
516      84.37  2.32
517      84.23  2.32
518      84.13  2.32
519      84.02  2.32
520      83.78  2.32
521      83.67  2.32
522      83.59  2.32
523      83.55  2.32
524      83.41  2.31
525      83.35  2.31
526      83.12  2.31
527      82.99  2.31
528      82.88  2.31
529      82.63  2.31
530      82.53  2.31
531      82.33  2.30
532      82.15  2.30
533      81.60  2.30
534      81.56  2.30
535      81.08  2.29
536      81.08  2.29
537      80.99  2.29
538      80.95  2.29
539      80.91  2.29
540      80.88  2.29
541      80.52  2.29
542      80.51  2.29
543      80.18  2.28
544      80.18  2.28
545      80.03  2.28
546      80.02  2.28
547      79.90  2.28
548      79.86  2.28
549      79.85  2.28
550      79.85  2.28
551      79.68  2.28
552      79.48  2.28
553      79.47  2.28
554      79.36  2.28
555      79.35  2.28
556      79.09  2.27
557      78.93  2.27
558      78.91  2.27
559      78.82  2.27
560      78.63  2.27
561      78.55  2.27
562      78.25  2.27
563      77.81  2.26
564      77.33  2.26
565      77.09  2.25
566      77.09  2.25
567      76.69  2.25
568      76.61  2.25
569      76.59  2.25
570      76.00  2.24
571      75.90  2.24
572      75.75  2.24
573      75.72  2.24
574      75.65  2.24
575      75.59  2.24
576      75.29  2.24
577      75.26  2.24
578      75.24  2.24
579      75.04  2.24
580      74.67  2.23
581      74.53  2.23
582      74.51  2.23
583      74.26  2.23
584      74.20  2.23
585      74.07  2.23
586      74.01  2.23
587      73.90  2.22
588      73.79  2.22
589      73.78  2.22
590      73.51  2.22
591      73.46  2.22
592      73.21  2.22
593      72.81  2.21
594      72.77  2.21
595      72.60  2.21
596      72.46  2.21
597      72.45  2.21
598      72.25  2.21
599      72.14  2.21
600      71.81  2.20
601      71.67  2.20
602      71.60  2.20
603      71.56  2.20
604      71.55  2.20
605      71.44  2.20
606      71.42  2.20
607      71.37  2.20
608      70.80  2.20
609      70.61  2.19
610      70.55  2.19
611      70.33  2.19
612      70.28  2.19
613      70.20  2.19
614      69.99  2.19
615      69.85  2.19
616      69.83  2.19
617      69.70  2.19
618      69.51  2.18
619      69.30  2.18
620      69.13  2.18
621      69.12  2.18
622      68.53  2.17
623      67.91  2.17
624      67.86  2.17
625      67.67  2.17
626      67.25  2.16
627      65.99  2.15
628      65.26  2.14
629      65.06  2.14
630      64.88  2.14
631      64.78  2.14
632      64.58  2.14
633      64.55  2.14
634      63.73  2.13
635      63.50  2.13
636      63.08  2.12
637      62.99  2.12
638      62.97  2.12
639      62.71  2.12
640      62.38  2.12
641      62.25  2.11
642      62.17  2.11
643      61.39  2.11
644      61.25  2.11
645      61.12  2.10
646      61.00  2.10
647      60.83  2.10
648      60.78  2.10
649      60.66  2.10
650      60.10  2.09
651      59.79  2.09
652      59.64  2.09
653      58.41  2.08
654      58.39  2.08
655      58.01  2.07
656      57.83  2.07
657      57.20  2.07
658      56.99  2.07
659      56.82  2.06
660      56.72  2.06
661      56.35  2.06
662      56.20  2.06
663      56.13  2.06
664      55.89  2.05
665      55.38  2.05
666      55.02  2.05
667      55.00  2.05
668      54.98  2.05
669      53.28  2.03
670      52.43  2.02
671      52.39  2.02
672      51.92  2.02
673      51.28  2.01
674      51.05  2.01
675      50.86  2.01
676      49.35  1.99
677      49.08  1.99
678      48.95  1.99
679      48.09  1.98
680      47.02  1.97
681      47.00  1.97
682      46.81  1.97
683      46.37  1.97
684      46.05  1.96
685      45.99  1.96
686      45.87  1.96
687      45.80  1.96
688      45.11  1.95
689      44.71  1.95
690      44.69  1.95
691      44.11  1.94
692      43.61  1.94
693      43.26  1.94
694      42.54  1.93
695      41.16  1.92
696      41.14  1.92
697      39.34  1.90
698      38.91  1.89
699      38.75  1.89
700      38.59  1.89
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 1 mins 24.04 secs (     84.04 secs)
Finished: Thu Apr 21 17:48:02 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION               2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   2.72  34.48 (9072)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (9072)
                               - half number of centrics (0/2)
                             = -9072
   With correction for SigF,
      Wilson log(likelihood) = -7830.15


------------------------
ALTERNATIVE SPACE GROUPS
------------------------

   Space Group(s) to be tested:
     P 32
     P 31
     P 3


----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Sampling:  0.68 Angstroms


----------------------------
TRANSLATION FUNCTION #1 OF 3
----------------------------

   Space Group: P 32

   SOLU SET 
   SOLU SPAC P 32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.836  107.986  140.172 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.737   68.016  325.051 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.259   68.638  324.584 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.736  110.106  141.648 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.471   65.108  327.320 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.993   69.907  286.211 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.914   55.286  326.811 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.836  107.986  140.172 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.079  111.949  142.975 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.781  135.400  106.250 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.087  136.554  106.537 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.424  131.428  105.175 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.046  127.487  103.981 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.942   74.849  320.199 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.109  114.039  144.538 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.925  112.007  105.294 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.689   65.985  326.620 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.715   70.066  323.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.079  111.949  142.975 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.929   66.350  280.643 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.652   72.534  314.144 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.500   71.232  322.695 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.068   76.070  311.939 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.560  108.537  132.902 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.721  109.816  104.244 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.559  102.751  129.357 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.743  114.299  144.737 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.123  136.344  106.486 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.559   69.173  324.187 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.859   70.962  322.888 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.053  142.250  107.762 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.417  140.347  107.390 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.785  129.142  104.498 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.217   70.693  323.080 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.667   41.890  289.280 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.431  116.195   99.876 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.423   53.754  328.197 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.184   45.058  288.386 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.316   40.089  289.757 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.110   72.764  321.620 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.733  117.297  100.323 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.913   57.091  325.254 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.096  117.650  147.411 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  115.948  111.309  104.962 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.684  104.247  130.258 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.416   40.301  289.702 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.128   69.126  286.592 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.208   67.396  325.523 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  129.692  110.512  104.580 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.390   68.283  324.850 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.218   73.669  320.998 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.834  105.741  131.167 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.643  111.907  105.247 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.216   39.877  289.812 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.727   64.849  281.294 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.746  135.609  106.303 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  132.608   74.327  305.629 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.551   67.131  325.727 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.139   70.492  285.923 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.359  116.595  100.039 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.854   70.687  285.827 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.694   68.735  286.782 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.640  123.562  143.518 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.354  110.370  141.835 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.360   70.334  323.339 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.071   49.987  286.862 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.170   38.708  290.106 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  247.874  114.113  106.277 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.709   70.102  286.115 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.022   66.549  280.555 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.670  123.581  102.677 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.256  110.711  104.676 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.052  136.764  106.588 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.914   55.286  326.811 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.330  112.473  143.361 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.378  140.558  107.433 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.351   66.249  326.412 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.192   75.395  319.835 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.774  132.366  105.441 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.836   66.150  280.731 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.070   69.798  323.728 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.269   38.921  290.054 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.567   41.679  289.338 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.399  128.417  104.274 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.003  109.916  104.292 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.817   65.259  318.994 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.352   71.592  322.441 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.283   71.076  285.634 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.622  112.608  105.577 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.253   63.845  281.720 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.725  107.763  110.410 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.406  125.221  103.239 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.011  142.462  107.801 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.957   62.333  321.112 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.347   56.832  325.473 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.652   72.534  314.144 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.845  113.518  144.142 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.208  112.107  105.341 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.423   69.529  323.925 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.273  126.759  146.252 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.515   40.513  289.647 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.832   37.992  300.513 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.857  126.406  145.938 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.123  133.306  105.700 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.674  124.722  144.483 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.277   69.712  286.306 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.845   69.321  286.497 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.872  104.999  123.382 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.205  138.764  107.051 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.338  140.770  107.476 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.910   68.905  324.385 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.370  107.667  110.360 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.287  116.996  100.202 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  263.038  118.403  100.760 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.436  134.456  106.007 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.767   73.507  291.576 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.651   71.992  314.490 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.743   65.951  280.818 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.430   44.531  288.539 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.740  125.876  145.472 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.396  127.900  147.290 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.659  119.502  140.349 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.071   38.496  290.159 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.115   66.749  280.467 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.490   55.543  326.585 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.442   51.062  278.406 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.648  139.081  107.121 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.632   74.164  313.119 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.424   70.297  286.019 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.410  104.244  137.682 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.074   37.785  300.608 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.488   74.699  305.413 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  136.036   75.158  297.889 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.615   40.725  289.591 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.880   44.426  288.570 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   24.590  114.012  106.231 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.853  117.130  138.622 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.652  115.077  145.340 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.468  106.611  109.810 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.215  116.110  146.157 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  301.618   74.708  312.780 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.874   38.070  290.263 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.314   63.108  328.972 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.340  112.435  135.410 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.977   68.539  286.877 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.332   75.210  290.671 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.093   45.332  279.539 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.605  113.309  105.905 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.752  129.350  104.561 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.685  119.429  148.923 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.466   41.467  289.394 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.749   41.057  280.068 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.319  128.427   96.255 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.541  128.424  147.780 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.705   63.744  281.763 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.378  114.559  144.937 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.519   67.927  325.118 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  333.723  138.659  107.028 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.546  120.137  140.826 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.082   44.847  288.448 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.788  105.470  123.652 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.587   73.397  321.184 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.120   70.097  315.715 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.632   64.649  281.380 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.904   46.823  279.288 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.024   75.760  319.592 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.693   68.816  324.451 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.690  105.592  116.465 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.578  141.784  117.792 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.997   71.270  285.537 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   70.643  102.189  129.021 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.973   38.283  290.211 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.291   74.075  291.275 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.103   38.612  300.230 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.823   67.950  287.160 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.002  118.604  100.839 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.673   66.778  326.000 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.821   65.050  281.208 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.797  130.120   96.604 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.969  104.620  130.484 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.976  140.030  107.324 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.171  122.665  142.792 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.067  110.953  134.442 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.776   37.857  290.314 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.430   42.983  279.867 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.768   42.102  289.223 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.425   71.658  285.343 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.505  109.577  141.275 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.366   41.255  289.451 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.302  106.021  131.339 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.567   39.558  289.893 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.134  115.098   99.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.974  110.611  104.628 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.323  105.968  116.670 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.725  120.221  101.458 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  120.193  140.937  117.452 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.386   67.558  287.348 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.652   72.534  314.144 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.980   77.706  310.942 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.539  127.813  147.209 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.997   76.192  297.316 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.373  125.426  103.308 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.364   61.988  329.934 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.105   67.754  287.254 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.573  144.582  108.159 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.068   76.070  311.939 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.138   71.852  285.246 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.716  129.554  148.863 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.183  125.610  145.242 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.491  112.207  105.389 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.729   62.504  329.487 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.711   72.368  292.176 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.421   51.273  278.357 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.595  107.187  110.110 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.956  103.493  122.520 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.164  143.055  118.305 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.259   68.343  286.971 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.144   71.179  315.012 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.011  105.648  131.110 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.736  123.172  102.533 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.878   47.036  279.249 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.742  105.028  116.156 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.534  136.870  106.613 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.402  127.287  146.728 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.378  114.559  144.937 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.423   53.754  328.197 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.541   68.147  287.066 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.398  105.584  138.559 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  111.676  136.029  106.408 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.130   54.426  277.546 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.778   44.215  288.631 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.569   70.881  285.730 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.125  106.114  131.396 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  289.515   63.341  281.931 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.137  102.872  114.971 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.772  106.301  131.511 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.557   37.372  300.799 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.538   64.448  281.466 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.729  124.098  143.960 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.561   69.517  286.402 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.137   73.892  313.288 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.074  103.434  115.281 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  243.280  141.678  117.750 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.478  103.312  129.694 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.908  137.606  106.787 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.140  114.190  136.582 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.943   54.867  285.199 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.371   39.231  299.948 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.147  104.527  130.428 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.973  114.282  136.645 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.321  113.209  105.858 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.488   52.900  285.887 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.386  122.254  102.206 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.560  143.904  118.649 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.580   64.759  327.602 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.772   77.863  318.219 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.142  115.295  137.337 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.865   76.555  304.336 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.346   38.405  300.324 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.021  124.502  102.995 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.442  114.314  106.370 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   89.869   42.314  289.165 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.294   61.825  282.553 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.239   64.236  328.030 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.138  130.076  104.780 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.776  104.434  123.058 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.242  138.554  107.004 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.078  105.087  130.768 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.343  109.189  133.313 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.708   72.143  285.099 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.800   63.945  281.678 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  265.853   47.249  279.210 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.970   42.525  289.107 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.583  101.938  114.454 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.965  102.458  121.929 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.332   75.210  290.671 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.114  106.515  109.759 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.564  121.855  142.149 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.925  108.630  110.858 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.818  128.935  104.434 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.212  111.160  142.402 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.065   35.198  301.818 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.443   64.247  281.551 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.144  126.868  103.782 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.937  140.241  107.368 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  181.618   74.708  312.780 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.881   39.644  299.761 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.009   54.009  327.963 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.900  134.376   97.291 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.146   74.499  298.253 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.889  106.767  131.799 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.480  122.485  142.648 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.348  107.757  117.646 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.279   36.751  301.087 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.419   69.614  286.354 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.887  125.788  145.395 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.834   70.242  308.038 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.716   40.937  289.536 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.778  125.256  144.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.166   40.831  289.564 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.214  113.257  143.945 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.553   61.318  282.757 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.346  110.687  119.239 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.635   39.851  299.668 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.669  142.525  118.091 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.054  124.297  102.925 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.532   44.742  288.478 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.117   41.785  289.309 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.188   72.470  306.717 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   22.573  133.619  105.785 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.345   99.981  113.363 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.158   63.643  281.805 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  315.009  119.934  149.365 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.302   43.838  279.758 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.708   48.209  287.430 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.279  138.343  106.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.126   68.994  324.319 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.075   72.842  306.499 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.589   53.108  285.816 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.615   39.025  300.042 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.650  113.359  136.024 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.294  136.085   97.483 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.527  117.313  138.753 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.071  142.313  118.005 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.570  136.659  106.562 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.266  101.048  121.124 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.188  107.663  117.594 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.419  126.671  146.173 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.532  142.356  107.781 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.460   76.004  297.420 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.916   41.361  289.423 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  174.283  100.317  127.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.497   77.434  311.107 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.335   74.217  298.409 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.649   61.521  282.676 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.237  136.355  145.168 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.316  138.132  106.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.405   33.125  302.822 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.915   65.250  281.122 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.763  143.267  118.391 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.374  105.404  116.362 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.638   36.440  301.232 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.256  104.994  130.711 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.391   62.027  282.471 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.517  108.392  125.338 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.413   77.036  296.847 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.515  102.498  114.765 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.497   77.434  311.107 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.709   33.747  302.517 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.612  104.807  130.598 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.294  114.616  106.508 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.916   56.929  276.818 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  123.156   77.588  318.396 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.965   40.407  289.675 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.809  141.765  128.223 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.060  107.593  147.717 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.513  111.508  105.057 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.119   75.813  304.766 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.976  128.773  148.109 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.809   48.419  287.364 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.661  144.647  118.952 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.141  104.622  123.166 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.610   63.542  281.847 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.090   75.525  312.274 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.666   39.770  289.839 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.065   40.619  289.619 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.009   54.009  327.963 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.073   71.052  322.823 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.185   52.278  286.100 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.014  139.819  107.280 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.474   77.669  303.693 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.419   42.419  289.136 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.626  117.900  100.562 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.286   52.485  286.030 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.542   54.040  285.491 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.189   36.579  290.615 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.137   69.128  308.706 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.891  109.312  141.090 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.812  140.091  117.113 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.464   42.769  279.892 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.562  144.966  119.082 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.504  124.605  103.030 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.891  109.312  141.090 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.354   35.819  301.523 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.948   67.164  287.536 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.400   68.245  287.019 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.789   66.574  287.816 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.070   42.737  289.048 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.607  128.968  112.658 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.605   74.311  298.357 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.544  105.368  130.939 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.341   78.040  303.479 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.343  106.036  109.508 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  303.694  128.947  148.276 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.400  103.873  130.032 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.804  107.247  147.457 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.262   52.958  277.938 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.841  114.005   98.956 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.767   73.507  291.576 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.713  106.861  131.856 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.766   39.983  289.785 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.270   69.028  286.640 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.339  112.507  105.530 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.056  112.407  105.483 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.877   36.233  301.329 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.475   76.399  319.171 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.270  104.746  116.002 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.565  110.114  104.388 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.991   53.937  285.528 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.972  114.835  137.021 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.673  120.186  149.588 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.243   75.442  304.981 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.712   70.784  285.778 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.762   64.725  319.372 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.055  105.093  123.436 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.877   76.849  296.951 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.864  108.910  133.136 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.156  113.082  135.839 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  264.366   75.070  305.197 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.409  121.945  142.220 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.017   41.573  289.366 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.243  102.082  121.714 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.674  132.992  105.615 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.422  118.500  139.610 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.155  105.658  123.760 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.474  107.355  124.738 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.937  123.379  110.348 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.843   61.926  282.512 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.955   73.126  321.371 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.700  135.371  144.223 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.491  141.043  117.495 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.016  117.038  138.557 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.635   62.463  312.865 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.880  124.009  143.886 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.993   76.184  304.551 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.769  145.061  130.390 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.047  104.057  122.843 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.574  142.144  107.742 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.715   80.986  308.975 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.644   71.226  292.773 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  231.766   61.725  313.347 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.591   35.612  301.621 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.004   60.252  314.326 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.115   39.128  280.201 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   58.227   37.751  290.340 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.496   74.970  297.993 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.112   39.718  309.951 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.711   38.095  300.466 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.325   37.964  290.288 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.876   74.405  298.305 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.497   42.556  279.917 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.269   70.725  300.338 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.332   67.042  325.795 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.370  142.419  118.048 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.896  111.046  134.502 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.110   58.596  333.041 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.426   70.979  285.682 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.517   48.291  323.465 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.276   64.310  311.679 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.427  104.840  116.054 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.918   37.061  300.942 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.538  110.810  104.724 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.327  104.183  115.693 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.798   37.165  300.894 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.520  118.504  100.800 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.862  145.537  108.301 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.786  126.891  111.809 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.865  141.264  127.911 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.326  102.646  122.036 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.062   63.442  281.889 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.771   60.281  331.459 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.825  124.633  144.408 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.195   37.682  300.656 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.301   41.480  308.807 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.085   45.123  326.431 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.445  126.053  145.627 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.128   37.538  290.390 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.767   73.507  291.576 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.773   40.573  299.344 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.553   68.832  286.735 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.520   51.232  294.689 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.076   55.053  277.370 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.518   36.544  301.183 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.807  137.334  146.143 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.149  142.364  128.603 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.425   63.571  312.150 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.849  135.819  144.649 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.485   77.411  296.638 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.982  126.935  146.410 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER    3.543  103.715  115.436 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.386  103.621  115.384 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.606  119.223  131.908 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  340.996   36.130  301.377 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  137.468   38.302  300.371 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.602   41.914  279.987 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.039   65.420  310.980 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.144  125.235  111.124 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.229   66.968  287.629 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.262  108.769  125.557 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.198  102.938  129.469 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.179  106.695  124.357 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.776   75.213  319.956 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.298  106.552  146.941 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.944   52.452  294.160 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.065  133.929  142.897 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.600   75.253  312.443 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.471  135.281  144.139 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.813   74.643  290.974 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.469  136.444  145.256 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.175  141.995  117.877 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.828   61.357  313.590 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  244.484   47.936  323.782 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.005  136.266  145.081 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.055  118.415  148.052 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.895   64.146  281.593 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.235   35.923  301.474 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.766   54.884  293.101 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.360   56.702  292.304 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.004  126.318  145.860 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.737   38.922  300.089 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.332  113.295  128.230 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.697  109.995  126.273 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.194  134.381  143.306 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.150  128.448  112.447 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.776   62.836  282.140 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.758  142.264  128.539 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.549  107.286  117.389 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.477   49.704  295.351 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.240   72.938  291.876 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.434  106.626  117.030 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.733   51.842  294.425 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.279   77.982  325.659 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.423   38.177  290.237 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.844   75.440  297.733 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.548  138.064  136.112 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.889   60.988  313.834 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.920  102.563  129.245 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.729   42.656  308.069 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.404   58.345  333.284 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.215  114.708  129.085 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.301   34.991  301.917 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.922   75.816  297.524 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.208   45.822  325.749 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   61.986  137.777  146.596 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.499   38.372  321.993 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.578  108.283  148.242 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.179   71.797  292.475 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.593   78.230  317.983 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.947   60.620  314.079 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.668   39.841  320.617 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.449  131.053  113.502 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.164  105.874  116.619 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.724   72.614  299.295 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  338.530  127.514  112.064 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.401  136.801  145.608 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.957  139.191  137.014 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.557  134.921  143.803 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.135   69.810  286.259 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.860   37.959  311.146 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.567   42.128  279.964 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.762  115.462  129.546 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.153   53.061  293.896 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.765  113.247  120.634 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.048  106.204  146.685 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.545   42.434  318.362 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.981   38.715  300.182 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.547  127.199  146.648 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.644   65.702  303.134 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.955  104.559  115.899 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.706  116.403  130.127 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.947  138.252  136.260 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.148   45.472  326.088 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.564   54.277  293.366 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.189  112.226   98.177 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.057  138.463  126.225 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.496  126.788  111.766 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.059  139.764  126.995 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.411  104.246  122.950 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.240   72.938  291.876 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.997   70.589  285.875 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.132  139.264  126.696 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.437   37.475  300.751 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.899   57.137  276.754 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.026   39.657  320.785 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.293  102.966  115.023 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.065  104.807  145.674 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.458  119.047  140.012 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.769   39.013  321.382 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.383   75.628  297.629 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.532  105.498  116.413 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  299.145   66.556  302.655 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.258   51.436  294.601 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   68.799  129.671  121.426 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.844   59.942  331.771 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  359.512   39.954  299.622 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.829  114.520  128.971 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.348  142.085  139.494 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.474  127.977  120.556 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.659   50.790  321.326 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.309   40.026  320.450 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.248   39.335  299.901 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.299  140.619  117.325 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.300   75.680  327.294 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.637  109.657  149.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.058   59.884  314.574 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.930  135.460  144.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.003   39.541  299.808 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.324  143.382  140.694 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.204   49.124  304.289 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.811  140.501  138.106 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.843  140.968  138.506 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.242   73.404  328.984 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.642  117.814  131.010 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.927  125.167  144.860 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   93.329  134.831  143.719 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.684  146.773  119.828 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.298  106.552  146.941 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.509  141.713  139.160 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  288.375  124.900  144.633 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  210.282  123.715  134.905 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.088   63.022  329.045 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  131.367   55.188  292.968 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.240   72.938  291.876 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.140   71.173  285.585 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.629   40.118  320.367 RFZ  2.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.003  119.410  132.029 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.711  132.569  141.702 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.208   45.822  325.749 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.416   74.593  298.201 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.225  122.314  133.946 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.516  134.110  143.060 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.174  139.753  137.477 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.554   57.306  292.038 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.606  140.407  138.026 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.361  127.679  120.404 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.837   55.058  309.388 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.851   70.005  286.163 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.473  129.063  129.791 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.797   42.806  318.054 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.616  142.641  140.001 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.209  119.035  131.787 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.369  109.314  149.039 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.553  139.003  136.862 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.256   54.868  309.507 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.839  133.839  142.816 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.434   43.244  307.707 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.836  144.028  141.316 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.607   49.602  295.395 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.201   65.892  303.027 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.148   50.887  303.319 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.566   70.081  293.368 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.532   42.342  279.941 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.224   53.378  277.829 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.947   35.302  301.769 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.421   42.992  317.901 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.135  125.718   87.918 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.578   40.893  309.183 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.263   46.173  325.413 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.014  135.101  143.970 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.171  136.934  135.238 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.185   80.307  324.071 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.547   48.646  323.151 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.397   41.505  319.147 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.384   54.583  309.686 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.636   54.014  310.046 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.148   45.472  326.088 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.504   50.300  303.640 RFZ  2.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.418   52.970  310.714 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.962   53.973  293.499 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.965   54.773  309.567 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.383   39.473  320.955 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.045   43.179  317.749 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.315   46.524  325.080 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.883   53.445  310.409 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.702   48.450  270.706 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.564  129.073  121.118 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.468   53.634  310.287 RFZ  1.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.771   49.300  270.625 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.052   53.824  310.166 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.848   40.305  309.564 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.540   49.512  270.602 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.407   47.229  324.425 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.147  138.346  136.335 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  118.752   57.762  333.856 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.703  128.575  120.862 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.620   50.360  270.503 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.348  137.970  136.038 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.037   45.472  270.865 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.636  140.874  138.426 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  226.134   43.832  307.349 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.108  128.873  129.670 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.875  134.651  143.553 RFZ  1.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.018   42.068  308.436 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.221   43.832  317.223 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.856   49.712  303.963 RFZ  1.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.521   42.492  270.809 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  222.219   54.204  309.925 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.517   48.291  323.465 RFZ  1.89
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   This TF set has 700 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     273.8  108.0  140.2     171.3  ensemble1
   2     182.7   68.0  325.1     161.6  ensemble1
   3     165.3   68.6  324.6     157.2  ensemble1
   4     254.7  110.1  141.6     156.0  ensemble1
   5     316.5   65.1  327.3     155.0  ensemble1
   6     203.0   69.9  286.2     153.6  ensemble1
   7     341.9   55.3  326.8     152.9  ensemble1
   8      33.8  108.0  140.2     151.9  ensemble1
   9      13.1  111.9  143.0     151.0  ensemble1
   10     72.8  135.4  106.3     150.0  ensemble1
   11     84.1  136.6  106.5     148.4  ensemble1
   12     66.4  131.4  105.2     147.3  ensemble1
   13     60.0  127.5  104.0     146.6  ensemble1
   14    146.9   74.8  320.2     146.1  ensemble1
   15    234.1  114.0  144.5     145.9  ensemble1
   16    238.9  112.0  105.3     145.7  ensemble1
   17    188.7   66.0  326.6     145.7  ensemble1
   18    176.7   70.1  323.5     145.3  ensemble1
   19    133.1  111.9  143.0     145.1  ensemble1
   20    185.9   66.3  280.6     144.6  ensemble1
   21     41.7   72.5  314.1     144.4  ensemble1
   22    298.5   71.2  322.7     144.2  ensemble1
   23    149.1   76.1  311.9     144.1  ensemble1
   24    294.6  108.5  132.9     143.9  ensemble1
   25      6.7  109.8  104.2     143.8  ensemble1
   26    291.6  102.8  129.4     143.8  ensemble1
   27     96.7  114.3  144.7     143.2  ensemble1
   28    311.1  136.3  106.5     143.1  ensemble1
   29    304.6   69.2  324.2     143.1  ensemble1
   30     48.9   71.0  322.9     143.0  ensemble1
   31     74.1  142.3  107.8     143.0  ensemble1
   32    317.4  140.3  107.4     142.5  ensemble1
   33     43.8  129.1  104.5     142.2  ensemble1
   34    159.2   70.7  323.1     142.0  ensemble1
   35    103.7   41.9  289.3     141.9  ensemble1
   36    240.4  116.2   99.9     141.4  ensemble1
   37    356.4   53.8  328.2     140.9  ensemble1
   38      0.2   45.1  288.4     140.7  ensemble1
   39    342.3   40.1  289.8     140.6  ensemble1
   40    153.1   72.8  321.6     140.3  ensemble1
   41    251.7  117.3  100.3     139.8  ensemble1
   42    224.9   57.1  325.3     139.8  ensemble1
   43    351.1  117.6  147.4     139.5  ensemble1
   44    115.9  111.3  105.0     139.4  ensemble1
   45    280.7  104.2  130.3     139.3  ensemble1
   46    335.4   40.3  289.7     139.1  ensemble1
   47     92.1   69.1  286.6     138.8  ensemble1
   48    200.2   67.4  325.5     138.4  ensemble1
   49    129.7  110.5  104.6     138.4  ensemble1
   50     72.4   68.3  324.9     138.3  ensemble1
   51     25.2   73.7  321.0     137.6  ensemble1
   52    269.8  105.7  131.2     137.6  ensemble1
   53     15.6  111.9  105.2     137.4  ensemble1
   54    349.2   39.9  289.8     137.2  ensemble1
   55     57.7   64.8  281.3     136.7  ensemble1
   56    205.7  135.6  106.3     136.5  ensemble1
   57    132.6   74.3  305.6     136.1  ensemble1
   58    310.6   67.1  325.7     136.1  ensemble1
   59    196.1   70.5  285.9     135.9  ensemble1
   60    146.4  116.6  100.0     135.9  ensemble1
   61    313.9   70.7  285.8     135.8  ensemble1
   62    216.7   68.7  286.8     135.8  ensemble1
   63     95.6  123.6  143.5     135.7  ensemble1
   64    117.4  110.4  141.8     135.1  ensemble1
   65     66.4   70.3  323.3     135.0  ensemble1
   66     18.1   50.0  286.9     134.7  ensemble1
   67    207.2   38.7  290.1     134.3  ensemble1
   68    247.9  114.1  106.3     134.1  ensemble1
   69    320.7   70.1  286.1     134.0  ensemble1
   70    179.0   66.5  280.6     133.7  ensemble1
   71     53.7  123.6  102.7     133.7  ensemble1
   72    216.3  110.7  104.7     133.3  ensemble1
   73    217.1  136.8  106.6     133.3  ensemble1
   74    101.9   55.3  326.8     133.0  ensemble1
   75    218.3  112.5  143.4     132.9  ensemble1
   76     90.4  140.6  107.4     132.9  ensemble1
   77     78.4   66.2  326.4     132.8  ensemble1
   78    286.2   75.4  319.8     132.7  ensemble1
   79    304.8  132.4  105.4     132.7  ensemble1
   80    192.8   66.2  280.7     132.7  ensemble1
   81    287.1   69.8  323.7     132.6  ensemble1
   82    200.3   38.9  290.1     132.6  ensemble1
   83    110.6   41.7  289.3     132.6  ensemble1
   84    298.4  128.4  104.3     132.5  ensemble1
   85    230.0  109.9  104.3     132.4  ensemble1
   86     48.8   65.3  319.0     132.3  ensemble1
   87     31.4   71.6  322.4     131.5  ensemble1
   88    189.3   71.1  285.6     131.4  ensemble1
   89    138.6  112.6  105.6     131.3  ensemble1
   90     92.3   63.8  281.7     131.3  ensemble1
   91    121.7  107.8  110.4     131.1  ensemble1
   92     37.4  125.2  103.2     131.1  ensemble1
   93    207.0  142.5  107.8     130.8  ensemble1
   94    336.0   62.3  321.1     130.8  ensemble1
   95     87.3   56.8  325.5     130.7  ensemble1
   96    161.7   72.5  314.1     130.6  ensemble1
   97    148.8  113.5  144.1     130.6  ensemble1
   98    102.2  112.1  105.3     130.4  ensemble1
   99     37.4   69.5  323.9     130.0  ensemble1
   100   342.3  126.8  146.3     130.0  ensemble1
   101   328.5   40.5  289.6     129.9  ensemble1
   102   320.8   38.0  300.5     129.9  ensemble1
   103    74.9  126.4  145.9     129.8  ensemble1
   104   183.1  133.3  105.7     129.8  ensemble1
   105   334.7  124.7  144.5     129.7  ensemble1
   106    85.3   69.7  286.3     129.6  ensemble1
   107   209.8   69.3  286.5     129.6  ensemble1
   108   207.3   56.8  325.5     129.3  ensemble1
   109   308.9  105.0  123.4     129.2  ensemble1
   110   327.3   56.8  325.5     129.2  ensemble1
   111    40.2  138.8  107.1     129.2  ensemble1
   112   223.3  140.8  107.5     129.1  ensemble1
   113    54.9   68.9  324.4     128.9  ensemble1
   114    99.4  107.7  110.4     128.7  ensemble1
   115    52.3  117.0  100.2     128.7  ensemble1
   116   263.0  118.4  100.8     128.7  ensemble1
   117   194.4  134.5  106.0     128.7  ensemble1
   118   121.8   73.5  291.6     128.3  ensemble1
   119   126.7   72.0  314.5     128.3  ensemble1
   120   199.7   66.0  280.8     128.2  ensemble1
   121   197.4   44.5  288.5     128.2  ensemble1
   122   213.7  125.9  145.5     128.1  ensemble1
   123   221.4  127.9  147.3     128.1  ensemble1
   124   237.7  119.5  140.3     128.0  ensemble1
   125   214.1   38.5  290.2     128.0  ensemble1
   126   172.1   66.7  280.5     127.6  ensemble1
   127   239.5   55.5  326.6     127.5  ensemble1
   128   157.4   51.1  278.4     127.5  ensemble1
   129   239.6  139.1  107.1     127.4  ensemble1
   130    26.6   74.2  313.1     127.3  ensemble1
   131    78.4   70.3  286.0     127.2  ensemble1
   132   157.4  104.2  137.7     127.1  ensemble1
   133   203.1   37.8  300.6     127.1  ensemble1
   134    18.5   74.7  305.4     126.9  ensemble1
   135   136.0   75.2  297.9     126.7  ensemble1
   136   321.6   40.7  289.6     126.0  ensemble1
   137    20.9   44.4  288.6     125.9  ensemble1
   138    24.6  114.0  106.2     125.9  ensemble1
   139   119.9  117.1  138.6     125.9  ensemble1
   140   284.7  115.1  145.3     125.8  ensemble1
   141   213.5  106.6  109.8     125.5  ensemble1
   142   335.2  116.1  146.2     125.5  ensemble1
   143   301.6   74.7  312.8     125.4  ensemble1
   144   227.9   38.1  290.3     125.4  ensemble1
   145   322.3   63.1  329.0     125.3  ensemble1
   146    41.3  112.4  135.4     125.1  ensemble1
   147    99.0   68.5  286.9     125.0  ensemble1
   148   228.3   75.2  290.7     124.8  ensemble1
   149   140.1   45.3  279.5     124.4  ensemble1
   150   261.6  113.3  105.9     124.2  ensemble1
   151   176.8  129.3  104.6     123.9  ensemble1
   152   109.7  119.4  148.9     123.9  ensemble1
   153   117.5   41.5  289.4     123.9  ensemble1
   154   220.7   41.1  280.1     123.7  ensemble1
   155    49.3  128.4   96.3     123.4  ensemble1
   156    82.5  128.4  147.8     123.3  ensemble1
   157   275.7   63.7  281.8     123.2  ensemble1
   158    79.4  114.6  144.9     123.2  ensemble1
   159   339.5   67.9  325.1     123.2  ensemble1
   160   333.7  138.7  107.0     123.1  ensemble1
   161   255.5  120.1  140.8     123.0  ensemble1
   162     7.1   44.8  288.4     122.9  ensemble1
   163    74.8  105.5  123.7     122.6  ensemble1
   164   135.6   73.4  321.2     122.5  ensemble1
   165     4.1   70.1  315.7     122.5  ensemble1
   166    64.6   64.6  281.4     122.4  ensemble1
   167   237.9   46.8  279.3     122.4  ensemble1
   168    19.0   75.8  319.6     122.2  ensemble1
   169   211.7   68.8  324.5     122.1  ensemble1
   170   206.7  105.6  116.5     122.1  ensemble1
   171   106.6  141.8  117.8     122.1  ensemble1
   172   307.0   71.3  285.5     121.4  ensemble1
   173    70.6  102.2  129.0     121.3  ensemble1
   174   221.0   38.3  290.2     121.3  ensemble1
   175   197.3   74.1  291.3     121.2  ensemble1
   176   314.1   38.6  300.2     121.1  ensemble1
   177   105.8   68.0  287.2     120.9  ensemble1
   178    36.0  118.6  100.8     120.8  ensemble1
   179   217.7   66.8  326.0     120.8  ensemble1
   180    50.8   65.0  281.2     120.6  ensemble1
   181   165.8  130.1   96.6     120.6  ensemble1
   182   188.0  104.6  130.5     120.5  ensemble1
   183   118.0  140.0  107.3     120.4  ensemble1
   184   327.2  122.7  142.8     120.4  ensemble1
   185    52.1  111.0  134.4     120.3  ensemble1
   186   234.8   37.9  290.3     120.2  ensemble1
   187   346.4   43.0  279.9     120.2  ensemble1
   188    96.8   42.1  289.2     120.2  ensemble1
   189   182.4   71.7  285.3     120.0  ensemble1
   190    49.5  109.6  141.3     120.0  ensemble1
   191   124.4   41.3  289.5     119.9  ensemble1
   192    20.3  106.0  131.3     119.9  ensemble1
   193   179.6   39.6  289.9     119.9  ensemble1
   194   229.1  115.1   99.4     119.7  ensemble1
   195   353.0  110.6  104.6     119.4  ensemble1
   196   319.3  106.0  116.7     119.3  ensemble1
   197    19.7  120.2  101.5     119.2  ensemble1
   198   120.2  140.9  117.5     119.2  ensemble1
   199   230.4   67.6  287.3     119.1  ensemble1
   200   281.7   72.5  314.1     119.1  ensemble1
   201    14.0   77.7  310.9     118.8  ensemble1
   202    64.5  127.8  147.2     118.4  ensemble1
   203   231.0   76.2  297.3     118.2  ensemble1
   204   170.4  125.4  103.3     118.1  ensemble1
   205   200.4   62.0  329.9     118.1  ensemble1
   206   348.1   67.8  287.3     118.0  ensemble1
   207    96.6  144.6  108.2     118.0  ensemble1
   208   269.1   76.1  311.9     118.0  ensemble1
   209   300.1   71.9  285.2     117.9  ensemble1
   210   321.7  129.6  148.9     117.9  ensemble1
   211   103.2  125.6  145.2     117.9  ensemble1
   212   325.5  112.2  105.4     117.8  ensemble1
   213   339.7   62.5  329.5     117.7  ensemble1
   214   330.7   72.4  292.2     117.7  ensemble1
   215   171.4   51.3  278.4     117.7  ensemble1
   216   347.6  107.2  110.1     117.6  ensemble1
   217   194.0  103.5  122.5     117.6  ensemble1
   218   266.2  143.1  118.3     117.4  ensemble1
   219   341.3   68.3  287.0     117.4  ensemble1
   220   314.1   71.2  315.0     117.2  ensemble1
   221   113.0  105.6  131.1     117.1  ensemble1
   222   147.7  123.2  102.5     116.9  ensemble1
   223   251.9   47.0  279.2     116.7  ensemble1
   224   217.7  105.0  116.2     116.6  ensemble1
   225   283.5  136.9  106.6     116.6  ensemble1
   226   203.4  127.3  146.7     116.3  ensemble1
   227   199.4  114.6  144.9     116.3  ensemble1
   228   116.4   53.8  328.2     116.3  ensemble1
   229   223.5   68.1  287.1     116.2  ensemble1
   230   310.4  105.6  138.6     116.2  ensemble1
   231   111.7  136.0  106.4     116.1  ensemble1
   232    21.1   54.4  277.5     115.8  ensemble1
   233    27.8   44.2  288.6     115.6  ensemble1
   234    71.6   70.9  285.7     115.4  ensemble1
   235   177.1  106.1  131.4     115.3  ensemble1
   236   289.5   63.3  281.9     115.3  ensemble1
   237   200.1  102.9  115.0     115.2  ensemble1
   238   130.8  106.3  131.5     115.2  ensemble1
   239   327.6   37.4  300.8     114.9  ensemble1
   240    71.5   64.4  281.5     114.9  ensemble1
   241   316.7  124.1  144.0     114.7  ensemble1
   242   327.6   69.5  286.4     114.7  ensemble1
   243   249.1   73.9  313.3     114.4  ensemble1
   244   189.1  103.4  115.3     114.1  ensemble1
   245   243.3  141.7  117.7     114.1  ensemble1
   246   152.5  103.3  129.7     114.0  ensemble1
   247    28.9  137.6  106.8     113.8  ensemble1
   248   141.1  114.2  136.6     113.7  ensemble1
   249    35.9   54.9  285.2     113.6  ensemble1
   250   307.4   39.2  299.9     113.6  ensemble1
   251    31.1  104.5  130.4     113.3  ensemble1
   252   298.0  114.3  136.6     113.2  ensemble1
   253    38.3  113.2  105.9     113.2  ensemble1
   254   281.5   52.9  285.9     113.0  ensemble1
   255   269.4  122.3  102.2     112.5  ensemble1
   256   252.6  143.9  118.6     112.3  ensemble1
   257   223.6   64.8  327.6     112.3  ensemble1
   258    12.8   77.9  318.2     112.2  ensemble1
   259   223.1  115.3  137.3     112.1  ensemble1
   260   347.9   76.6  304.3     111.8  ensemble1
   261   196.3   38.4  300.3     111.8  ensemble1
   262   292.0  124.5  103.0     111.6  ensemble1
   263   334.4  114.3  106.4     111.5  ensemble1
   264    89.9   42.3  289.2     111.4  ensemble1
   265   161.3   61.8  282.6     111.2  ensemble1
   266    84.2   64.2  328.0     111.1  ensemble1
   267   282.1  130.1  104.8     111.0  ensemble1
   268    85.8  104.4  123.1     111.0  ensemble1
   269   267.2  138.6  107.0     110.7  ensemble1
   270   252.1  105.1  130.8     110.5  ensemble1
   271   312.3  109.2  133.3     110.3  ensemble1
   272   116.7   72.1  285.1     110.2  ensemble1
   273   268.8   63.9  281.7     110.2  ensemble1
   274   265.9   47.2  279.2     110.1  ensemble1
   275    83.0   42.5  289.1     110.0  ensemble1
   276    98.6  101.9  114.5     109.7  ensemble1
   277   205.0  102.5  121.9     109.7  ensemble1
   278   348.3   75.2  290.7     109.7  ensemble1
   279   191.1  106.5  109.8     109.6  ensemble1
   280   355.6  121.9  142.1     109.4  ensemble1
   281   322.9  108.6  110.9     109.3  ensemble1
   282   270.8  128.9  104.4     109.0  ensemble1
   283   305.2  111.2  142.4     109.0  ensemble1
   284   171.1   35.2  301.8     108.6  ensemble1
   285    78.4   64.2  281.6     108.6  ensemble1
   286    21.1  126.9  103.8     108.5  ensemble1
   287   250.9  140.2  107.4     108.4  ensemble1
   288   181.6   74.7  312.8     108.3  ensemble1
   289   182.9   39.6  299.8     108.3  ensemble1
   290    14.0   54.0  328.0     108.3  ensemble1
   291   276.9  134.4   97.3     108.3  ensemble1
   292    10.1   74.5  298.3     108.2  ensemble1
   293   194.9  106.8  131.8     108.1  ensemble1
   294    13.5  122.5  142.6     107.9  ensemble1
   295   224.3  107.8  117.6     107.8  ensemble1
   296   334.3   36.8  301.1     107.8  ensemble1
   297    26.4   69.6  286.4     107.5  ensemble1
   298    56.9  125.8  145.4     107.3  ensemble1
   299   307.8   70.2  308.0     107.3  ensemble1
   300   314.7   40.9  289.5     107.2  ensemble1
   301   195.8  125.3  144.9     107.2  ensemble1
   302   138.2   40.8  289.6     107.2  ensemble1
   303   166.2  113.3  143.9     107.1  ensemble1
   304   358.6   61.3  282.8     107.1  ensemble1
   305   107.3  110.7  119.2     107.0  ensemble1
   306   300.6   39.9  299.7     106.9  ensemble1
   307   229.7  142.5  118.1     106.7  ensemble1
   308   159.1  124.3  102.9     106.6  ensemble1
   309   190.5   44.7  288.5     106.5  ensemble1
   310   287.1   41.8  289.3     106.3  ensemble1
   311   163.2   72.5  306.7     106.3  ensemble1
   312    22.6  133.6  105.8     106.3  ensemble1
   313   317.3  100.0  113.4     106.2  ensemble1
   314    99.2   63.6  281.8     106.2  ensemble1
   315   315.0  119.9  149.4     106.2  ensemble1
   316    42.3   43.8  279.8     106.1  ensemble1
   317   256.7   48.2  287.4     106.0  ensemble1
   318   134.3  138.3  107.0     106.0  ensemble1
   319   258.1   69.0  324.3     106.0  ensemble1
   320   229.1   72.8  306.5     105.7  ensemble1
   321   274.6   53.1  285.8     105.6  ensemble1
   322   189.6   39.0  300.0     105.3  ensemble1
   323   169.7  113.4  136.0     105.3  ensemble1
   324    33.3  136.1   97.5     105.2  ensemble1
   325    73.5  117.3  138.8     105.1  ensemble1
   326   143.1  142.3  118.0     105.1  ensemble1
   327   150.6  136.7  106.6     105.1  ensemble1
   328   187.3  101.0  121.1     105.0  ensemble1
   329   286.2  107.7  117.6     104.9  ensemble1
   330   185.4  126.7  146.2     104.9  ensemble1
   331   140.5  142.4  107.8     104.8  ensemble1
   332   246.5   76.0  297.4     104.8  ensemble1
   333   300.9   41.4  289.4     104.7  ensemble1
   334   174.3  100.3  127.9     104.7  ensemble1
   335   116.5   77.4  311.1     104.5  ensemble1
   336   213.3   74.2  298.4     104.3  ensemble1
   337   351.6   61.5  282.7     104.2  ensemble1
   338   306.2  136.4  145.2     104.1  ensemble1
   339     1.3  138.1  106.9     103.9  ensemble1
   340    73.4   33.1  302.8     103.8  ensemble1
   341    43.9   65.3  281.1     103.6  ensemble1
   342   352.8  143.3  118.4     103.5  ensemble1
   343   330.4  105.4  116.4     103.4  ensemble1
   344   157.6   36.4  301.2     103.4  ensemble1
   345    95.3  105.0  130.7     103.3  ensemble1
   346   154.4   62.0  282.5     103.1  ensemble1
   347   207.5  108.4  125.3     103.1  ensemble1
   348   341.4   77.0  296.8     103.0  ensemble1
   349    87.5  102.5  114.8     103.0  ensemble1
   350   236.5   77.4  311.1     102.9  ensemble1
   351    66.7   33.7  302.5     102.8  ensemble1
   352   141.6  104.8  130.6     102.7  ensemble1
   353   284.3  114.6  106.5     102.7  ensemble1
   354   188.9   56.9  276.8     102.6  ensemble1
   355   123.2   77.6  318.4     102.6  ensemble1
   356   152.0   40.4  289.7     102.5  ensemble1
   357   256.8  141.8  128.2     102.4  ensemble1
   358    21.1  107.6  147.7     102.3  ensemble1
   359   202.5  111.5  105.1     102.2  ensemble1
   360   216.1   75.8  304.8     102.2  ensemble1
   361   350.0  128.8  148.1     102.2  ensemble1
   362   249.8   48.4  287.4     102.2  ensemble1
   363    15.7  144.6  119.0     102.1  ensemble1
   364   280.1  104.6  123.2     102.0  ensemble1
   365   282.6   63.5  281.8     101.9  ensemble1
   366   354.1   75.5  312.3     101.9  ensemble1
   367   172.7   39.8  289.8     101.5  ensemble1
   368   145.1   40.6  289.6     101.4  ensemble1
   369   254.0   54.0  328.0     101.3  ensemble1
   370   252.1   71.1  322.8     101.3  ensemble1
   371   302.2   52.3  286.1     101.2  ensemble1
   372   345.0  139.8  107.3     101.1  ensemble1
   373     5.5   77.7  303.7     101.1  ensemble1
   374   266.4   42.4  289.1     100.9  ensemble1
   375   290.6  117.9  100.6     100.9  ensemble1
   376   295.3   52.5  286.0     100.8  ensemble1
   377    63.5   54.0  285.5     100.8  ensemble1
   378   276.2   36.6  290.6     100.8  ensemble1
   379   290.1   69.1  308.7     100.6  ensemble1
   380    66.9  109.3  141.1     100.6  ensemble1
   381   133.8  140.1  117.1     100.6  ensemble1
   382   332.5   42.8  279.9     100.6  ensemble1
   383   325.6  145.0  119.1     100.5  ensemble1
   384   358.5  124.6  103.0     100.4  ensemble1
   385   186.9  109.3  141.1     100.3  ensemble1
   386   164.4   35.8  301.5     100.2  ensemble1
   387   354.9   67.2  287.5     100.2  ensemble1
   388   282.4   68.2  287.0     100.1  ensemble1
   389     1.8   66.6  287.8     100.0  ensemble1
   390    76.1   42.7  289.0      99.9  ensemble1
   391   224.6  129.0  112.7      99.8  ensemble1
   392    25.6   74.3  298.4      99.7  ensemble1
   393     2.5  105.4  130.9      99.7  ensemble1
   394   251.3   78.0  303.5      99.7  ensemble1
   395    79.3  106.0  109.5      99.7  ensemble1
   396   303.7  128.9  148.3      99.6  ensemble1
   397    13.4  103.9  130.0      99.4  ensemble1
   398   266.8  107.2  147.5      98.8  ensemble1
   399   283.3   53.0  277.9      98.7  ensemble1
   400   217.8  114.0   99.0      98.6  ensemble1
   401     1.8   73.5  291.6      98.5  ensemble1
   402   351.7  106.9  131.9      98.2  ensemble1
   403   165.8   40.0  289.8      98.2  ensemble1
   404    33.3   69.0  286.6      98.1  ensemble1
   405   275.3  112.5  105.5      98.1  ensemble1
   406    52.1  112.4  105.5      98.0  ensemble1
   407    39.9   36.2  301.3      97.9  ensemble1
   408     1.5   76.4  319.2      97.9  ensemble1
   409    43.3  104.7  116.0      97.9  ensemble1
   410   316.6  110.1  104.4      97.8  ensemble1
   411   247.0   53.9  285.5      97.5  ensemble1
   412   159.0  114.8  137.0      97.3  ensemble1
   413    57.7  120.2  149.6      96.9  ensemble1
   414   330.2   75.4  305.0      96.8  ensemble1
   415    12.7   70.8  285.8      96.8  ensemble1
   416   253.8   64.7  319.4      96.7  ensemble1
   417    46.1  105.1  123.4      96.7  ensemble1
   418   356.9   76.8  297.0      96.4  ensemble1
   419   201.9  108.9  133.1      96.3  ensemble1
   420    59.2  113.1  135.8      96.3  ensemble1
   421   264.4   75.1  305.2      96.3  ensemble1
   422   152.4  121.9  142.2      96.2  ensemble1
   423   294.0   41.6  289.4      96.1  ensemble1
   424   176.2  102.1  121.7      96.1  ensemble1
   425   343.7  133.0  105.6      95.9  ensemble1
   426   312.4  118.5  139.6      95.6  ensemble1
   427   269.2  105.7  123.8      95.5  ensemble1
   428   218.5  107.4  124.7      95.5  ensemble1
   429    46.9  123.4  110.3      95.5  ensemble1
   430   337.8   61.9  282.5      95.4  ensemble1
   431   246.0   73.1  321.4      95.2  ensemble1
   432   316.7  135.4  144.2      95.2  ensemble1
   433   343.5  141.0  117.5      95.0  ensemble1
   434   323.0  117.0  138.6      94.8  ensemble1
   435   183.6   62.5  312.9      94.7  ensemble1
   436   159.9  124.0  143.9      94.6  ensemble1
   437   282.0   76.2  304.6      94.1  ensemble1
   438   275.8  145.1  130.4      93.9  ensemble1
   439    57.0  104.1  122.8      93.7  ensemble1
   440     7.6  142.1  107.7      93.7  ensemble1
   441   343.7   81.0  309.0      93.4  ensemble1
   442   179.6   71.2  292.8      93.0  ensemble1
   443   231.8   61.7  313.3      93.0  ensemble1
   444    46.6   35.6  301.6      92.9  ensemble1
   445   328.0   60.3  314.3      92.8  ensemble1
   446    95.1   39.1  280.2      92.7  ensemble1
   447    58.2   37.8  290.3      92.5  ensemble1
   448   151.5   75.0  298.0      92.4  ensemble1
   449   296.1   39.7  310.0      92.4  ensemble1
   450    19.7   38.1  300.5      92.4  ensemble1
   451    51.3   38.0  290.3      92.3  ensemble1
   452   197.9   74.4  298.3      92.3  ensemble1
   453   318.5   42.6  279.9      92.2  ensemble1
   454   319.3   70.7  300.3      92.1  ensemble1
   455   107.3   67.0  325.8      92.1  ensemble1
   456     6.4  142.4  118.0      91.8  ensemble1
   457   208.9  111.0  134.5      91.7  ensemble1
   458   351.1   58.6  333.0      91.5  ensemble1
   459   130.4   71.0  285.7      91.5  ensemble1
   460   130.5   48.3  323.5      91.4  ensemble1
   461   153.3   64.3  311.7      91.1  ensemble1
   462   341.4  104.8  116.1      91.1  ensemble1
   463   150.9   37.1  300.9      91.0  ensemble1
   464    79.5  110.8  104.7      90.9  ensemble1
   465    54.3  104.2  115.7      90.8  ensemble1
   466   209.8   37.2  300.9      90.8  ensemble1
   467   329.5  118.5  100.8      90.5  ensemble1
   468   334.9  145.5  108.3      90.4  ensemble1
   469    78.8  126.9  111.8      90.2  ensemble1
   470   144.9  141.3  127.9      90.2  ensemble1
   471    39.3  102.6  122.0      90.0  ensemble1
   472   106.1   63.4  281.9      89.8  ensemble1
   473    95.8   60.3  331.5      89.7  ensemble1
   474   177.8  124.6  144.4      89.2  ensemble1
   475   144.2   37.7  300.7      89.1  ensemble1
   476   283.3   41.5  308.8      88.8  ensemble1
   477   256.1   45.1  326.4      88.6  ensemble1
   478   167.4  126.1  145.6      88.5  ensemble1
   479    65.1   37.5  290.4      88.5  ensemble1
   480   241.8   73.5  291.6      88.4  ensemble1
   481   352.8   40.6  299.3      88.4  ensemble1
   482   275.6   68.8  286.7      88.3  ensemble1
   483   355.5   51.2  294.7      88.2  ensemble1
   484    63.1   55.1  277.4      88.0  ensemble1
   485   216.5   36.5  301.2      88.0  ensemble1
   ----- angles below here for deep search only -----
   486   295.8  137.3  146.1      87.8  ensemble1
   487    31.1  142.4  128.6      87.8  ensemble1
   488   201.4   63.6  312.2      87.5  ensemble1
   489    82.8  135.8  144.6      87.4  ensemble1
   490   310.5   77.4  296.6      87.3  ensemble1
   491   296.0  126.9  146.4      87.3  ensemble1
   492     3.5  103.7  115.4      87.2  ensemble1
   493    65.4  103.6  115.4      87.1  ensemble1
   494   224.6  119.2  131.9      87.0  ensemble1
   495   341.0   36.1  301.4      87.0  ensemble1
   496   137.5   38.3  300.4      86.9  ensemble1
   497   276.6   41.9  280.0      86.7  ensemble1
   498   171.0   65.4  311.0      86.6  ensemble1
   499   106.1  125.2  111.1      86.6  ensemble1
   500   237.2   67.0  287.6      86.5  ensemble1
   501   236.3  108.8  125.6      86.3  ensemble1
   502   245.2  102.9  129.5      86.2  ensemble1
   503   258.2  106.7  124.4      86.1  ensemble1
   504   239.8   75.2  320.0      86.1  ensemble1
   505    38.3  106.6  146.9      85.8  ensemble1
   506   341.9   52.5  294.2      85.7  ensemble1
   507   201.1  133.9  142.9      85.7  ensemble1
   508    96.6   75.3  312.4      85.6  ensemble1
   509   219.5  135.3  144.1      85.5  ensemble1
   510    32.8   74.6  291.0      85.5  ensemble1
   511    43.5  136.4  145.3      84.9  ensemble1
   512   193.2  142.0  117.9      84.8  ensemble1
   513   345.8   61.4  313.6      84.8  ensemble1
   514   244.5   47.9  323.8      84.7  ensemble1
   515   209.0  136.3  145.1      84.4  ensemble1
   516   179.1  118.4  148.1      84.4  ensemble1
   517   261.9   64.1  281.6      84.2  ensemble1
   518   223.2   35.9  301.5      84.1  ensemble1
   519   314.8   54.9  293.1      84.0  ensemble1
   520   294.4   56.7  292.3      83.8  ensemble1
   521   278.0  126.3  145.9      83.7  ensemble1
   522   130.7   38.9  300.1      83.6  ensemble1
   523   221.3  113.3  128.2      83.6  ensemble1
   524    59.7  110.0  126.3      83.4  ensemble1
   525   327.2  134.4  143.3      83.3  ensemble1
   526   188.2  128.4  112.4      83.1  ensemble1
   527   126.8   62.8  282.1      83.0  ensemble1
   528     8.8  142.3  128.5      82.9  ensemble1
   529   173.5  107.3  117.4      82.6  ensemble1
   530   192.5   49.7  295.4      82.5  ensemble1
   531    46.2   72.9  291.9      82.3  ensemble1
   532   246.4  106.6  117.0      82.1  ensemble1
   533   348.7   51.8  294.4      81.6  ensemble1
   534   149.3   78.0  325.7      81.6  ensemble1
   535    44.4   38.2  290.2      81.1  ensemble1
   536   292.8   75.4  297.7      81.1  ensemble1
   537   302.5  138.1  136.1      81.0  ensemble1
   538   279.9   61.0  313.8      81.0  ensemble1
   539   337.9  102.6  129.2      80.9  ensemble1
   540   194.7   42.7  308.1      80.9  ensemble1
   541   101.4   58.3  333.3      80.5  ensemble1
   542   239.2  114.7  129.1      80.5  ensemble1
   543    53.3   35.0  301.9      80.2  ensemble1
   544   261.9   75.8  297.5      80.2  ensemble1
   545    28.2   45.8  325.7      80.0  ensemble1
   546    62.0  137.8  146.6      80.0  ensemble1
   547   262.5   38.4  322.0      79.9  ensemble1
   548   249.6  108.3  148.2      79.9  ensemble1
   549   255.2   71.8  292.5      79.9  ensemble1
   550   105.6   78.2  318.0      79.8  ensemble1
   551   213.9   60.6  314.1      79.7  ensemble1
   552   139.7   39.8  320.6      79.5  ensemble1
   553    10.4  131.1  113.5      79.5  ensemble1
   554    21.2  105.9  116.6      79.4  ensemble1
   555   164.7   72.6  299.3      79.4  ensemble1
   556   338.5  127.5  112.1      79.1  ensemble1
   557    72.4  136.8  145.6      78.9  ensemble1
   558   281.0  139.2  137.0      78.9  ensemble1
   559   190.6  134.9  143.8      78.8  ensemble1
   560   144.1   69.8  286.3      78.6  ensemble1
   561   308.9   38.0  311.1      78.5  ensemble1
   562   290.6   42.1  280.0      78.2  ensemble1
   563   296.8  115.5  129.5      77.8  ensemble1
   564   335.2   53.1  293.9      77.3  ensemble1
   565   237.8  113.2  120.6      77.1  ensemble1
   566   284.0  106.2  146.7      77.1  ensemble1
   567   284.5   42.4  318.4      76.7  ensemble1
   568    13.0   38.7  300.2      76.6  ensemble1
   569    46.5  127.2  146.6      76.6  ensemble1
   570   188.6   65.7  303.1      76.0  ensemble1
   571   167.0  104.6  115.9      75.9  ensemble1
   572   188.7  116.4  130.1      75.7  ensemble1
   573   178.9  138.3  136.3      75.7  ensemble1
   574   142.1   45.5  326.1      75.7  ensemble1
   575   321.6   54.3  293.4      75.6  ensemble1
   576   101.2  112.2   98.2      75.3  ensemble1
   577   238.1  138.5  126.2      75.3  ensemble1
   578   215.5  126.8  111.8      75.2  ensemble1
   579   169.1  139.8  127.0      75.0  ensemble1
   580   251.4  104.2  123.0      74.7  ensemble1
   581   166.2   72.9  291.9      74.5  ensemble1
   582   255.0   70.6  285.9      74.5  ensemble1
   583    57.1  139.3  126.7      74.3  ensemble1
   584    26.4   37.5  300.8      74.2  ensemble1
   585   202.9   57.1  276.8      74.1  ensemble1
   586   155.0   39.7  320.8      74.0  ensemble1
   587   138.3  103.0  115.0      73.9  ensemble1
   588     7.1  104.8  145.7      73.8  ensemble1
   589   173.5  119.0  140.0      73.8  ensemble1
   590    28.8   39.0  321.4      73.5  ensemble1
   591   277.4   75.6  297.6      73.5  ensemble1
   592   268.5  105.5  116.4      73.2  ensemble1
   593   299.1   66.6  302.7      72.8  ensemble1
   594   113.3   51.4  294.6      72.8  ensemble1
   595    68.8  129.7  121.4      72.6  ensemble1
   596     2.8   59.9  331.8      72.5  ensemble1
   597   359.5   40.0  299.6      72.4  ensemble1
   598    44.8  114.5  129.0      72.3  ensemble1
   599   165.3  142.1  139.5      72.1  ensemble1
   600    48.5  128.0  120.6      71.8  ensemble1
   601   232.7   50.8  321.3      71.7  ensemble1
   602   124.3   40.0  320.4      71.6  ensemble1
   603     6.2   39.3  299.9      71.6  ensemble1
   604   170.3  140.6  117.3      71.6  ensemble1
   605   155.3   75.7  327.3      71.4  ensemble1
   606   346.6  109.7  149.3      71.4  ensemble1
   607   262.1   59.9  314.6      71.4  ensemble1
   608    53.9  135.5  144.3      70.8  ensemble1
   609   124.0   39.5  299.8      70.6  ensemble1
   610    20.3  143.4  140.7      70.6  ensemble1
   611   187.2   49.1  304.3      70.3  ensemble1
   612   135.8  140.5  138.1      70.3  ensemble1
   613   186.8  141.0  138.5      70.2  ensemble1
   614   161.2   73.4  329.0      70.0  ensemble1
   615   206.6  117.8  131.0      69.9  ensemble1
   616    38.9  125.2  144.9      69.8  ensemble1
   617    93.3  134.8  143.7      69.7  ensemble1
   618   161.7  146.8  119.8      69.5  ensemble1
   619   218.3  106.6  146.9      69.3  ensemble1
   620    52.5  141.7  139.2      69.1  ensemble1
   621   288.4  124.9  144.6      69.1  ensemble1
   622   210.3  123.7  134.9      68.5  ensemble1
   623   119.1   63.0  329.0      67.9  ensemble1
   624   131.4   55.2  293.0      67.9  ensemble1
   625   286.2   72.9  291.9      67.7  ensemble1
   626   248.1   71.2  285.6      67.3  ensemble1
   627   296.6   40.1  320.4      66.0  ensemble1
   628    59.0  119.4  132.0      65.3  ensemble1
   629   182.7  132.6  141.7      65.1  ensemble1
   630   208.2   45.8  325.7      64.9  ensemble1
   631   182.4   74.6  298.2      64.8  ensemble1
   632   192.2  122.3  133.9      64.6  ensemble1
   633    35.5  134.1  143.1      64.5  ensemble1
   634   270.2  139.8  137.5      63.7  ensemble1
   635   287.6   57.3  292.0      63.5  ensemble1
   636   197.6  140.4  138.0      63.1  ensemble1
   637   341.4  127.7  120.4      63.0  ensemble1
   638   332.8   55.1  309.4      63.0  ensemble1
   639   261.9   70.0  286.2      62.7  ensemble1
   640    54.5  129.1  129.8      62.4  ensemble1
   641   253.8   42.8  318.1      62.3  ensemble1
   642   154.6  142.6  140.0      62.2  ensemble1
   643    30.2  119.0  131.8      61.4  ensemble1
   644   232.4  109.3  149.0      61.2  ensemble1
   645    44.6  139.0  136.9      61.1  ensemble1
   646   348.3   54.9  309.5      61.0  ensemble1
   647   103.8  133.8  142.8      60.8  ensemble1
   648   270.4   43.2  307.7      60.8  ensemble1
   649   307.8  144.0  141.3      60.7  ensemble1
   650   133.6   49.6  295.4      60.1  ensemble1
   651   173.2   65.9  303.0      59.8  ensemble1
   652   294.1   50.9  303.3      59.6  ensemble1
   653   268.6   70.1  293.4      58.4  ensemble1
   654   304.5   42.3  279.9      58.4  ensemble1
   655   311.2   53.4  277.8      58.0  ensemble1
   656   229.9   35.3  301.8      57.8  ensemble1
   657   238.4   43.0  317.9      57.2  ensemble1
   658   250.1  125.7   87.9      57.0  ensemble1
   659   207.6   40.9  309.2      56.8  ensemble1
   660   274.3   46.2  325.4      56.7  ensemble1
   661    25.0  135.1  144.0      56.3  ensemble1
   662   324.2  136.9  135.2      56.2  ensemble1
   663   143.2   80.3  324.1      56.1  ensemble1
   664   196.5   48.6  323.2      55.9  ensemble1
   665     1.4   41.5  319.1      55.4  ensemble1
   666   191.4   54.6  309.7      55.0  ensemble1
   667   237.6   54.0  310.0      55.0  ensemble1
   668   322.1   45.5  326.1      55.0  ensemble1
   669   218.5   50.3  303.6      53.3  ensemble1
   670   142.4   53.0  310.7      52.4  ensemble1
   671   145.0   54.0  293.5      52.4  ensemble1
   672   176.0   54.8  309.6      51.9  ensemble1
   673   170.4   39.5  321.0      51.3  ensemble1
   674   223.0   43.2  317.7      51.0  ensemble1
   675   160.3   46.5  325.1      50.9  ensemble1
   676   283.9   53.4  310.4      49.3  ensemble1
   677   145.7   48.5  270.7      49.1  ensemble1
   678   294.6  129.1  121.1      49.0  ensemble1
   679   268.5   53.6  310.3      48.1  ensemble1
   680    12.8   49.3  270.6      47.0  ensemble1
   681   253.1   53.8  310.2      47.0  ensemble1
   682   251.8   40.3  309.6      46.8  ensemble1
   683   159.5   49.5  270.6      46.4  ensemble1
   684   292.4   47.2  324.4      46.1  ensemble1
   685   117.1  138.3  136.3      46.0  ensemble1
   686   118.8   57.8  333.9      45.9  ensemble1
   687   182.7  128.6  120.9      45.8  ensemble1
   688    26.6   50.4  270.5      45.1  ensemble1
   689     4.3  138.0  136.0      44.7  ensemble1
   690   251.0   45.5  270.9      44.7  ensemble1
   691   248.6  140.9  138.4      44.1  ensemble1
   692   226.1   43.8  307.3      43.6  ensemble1
   693   178.1  128.9  129.7      43.3  ensemble1
   694   258.9  134.7  143.6      42.5  ensemble1
   695   239.0   42.1  308.4      41.2  ensemble1
   696   349.2   43.8  317.2      41.1  ensemble1
   697   262.9   49.7  304.0      39.3  ensemble1
   698   356.5   42.5  270.8      38.9  ensemble1
   699   222.2   54.2  309.9      38.7  ensemble1
   700   310.5   48.3  323.5      38.6  ensemble1

      485 trial orientations in initial search
      215 trial orientations in deep search


   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #1 of 3
   0%                                                              100%
   |===============================================================| DONE

   Mean Score (Sigma):       66.71   (19.73)

   SET #1 of 3 TRIAL #1 of 485
   ---------------------------
   Ensemble ensemble1 Euler 273.84 107.99 140.17 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 193.21 (TFZ=2.7) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.092  0.446  0.000     193.21  2.75
   2      0.247  0.546  0.000     192.61  2.67
   3      0.058  0.257  0.000     192.47  2.65
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #1 of 485
   0%                 100%
   |==================| DONE


   New Top (ML) Translation Function LLG = 150.14 (TFZ=4.2) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.092  0.446  0.000     150.14  2.75   0.0      3     193.21/    193.21
   2      0.058  0.257  0.000     149.89  2.65  10.2      3     192.47/    192.47
   3      0.225  0.091  0.000     149.26  2.30  25.7      2     189.65/    190.00
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 3 TRIAL #2 of 485
   ---------------------------
   Ensemble ensemble1 Euler 182.74  68.02 325.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.178  0.532  0.000     189.15  3.56
   2      0.201  0.010  0.000     185.82  3.12
   3      0.012  0.821  0.000     185.64  3.09
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #2 of 485
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.178  0.532  0.000     144.46  3.56   0.0      1     189.15/    189.15
   2      0.212  0.043  0.000     144.20  2.99  29.0      1     184.88/    184.88
   3      0.012  0.821  0.000     143.99  3.09  23.4      1     185.64/    185.64
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 3 TRIAL #3 of 485
   ---------------------------
   Ensemble ensemble1 Euler 165.26  68.64 324.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #4 of 485
   ---------------------------
   Ensemble ensemble1 Euler 254.74 110.11 141.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #5 of 485
   ---------------------------
   Ensemble ensemble1 Euler 316.47  65.11 327.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.142  0.533  0.000     183.80  3.44
   2      0.075  0.533  0.000     181.31  3.14
   3      0.042  0.045  0.000     181.16  3.12

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #5 of 485
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.142  0.533  0.000     141.21  3.44   0.0      1     183.80/    183.80
   2      0.042  0.045  0.000     138.94  3.12  26.2      1     181.16/    181.16
   3      0.075  0.533  0.000     138.72  3.14   3.9      1     181.31/    181.31

   SET #1 of 3 TRIAL #6 of 485
   ---------------------------
   Ensemble ensemble1 Euler 202.99  69.91 286.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.222  0.816  0.000     184.12  3.70
   2      0.233  0.827  0.000     183.34  3.61
   3      0.188  0.583  0.000     180.81  3.31

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #6 of 485
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.233  0.827  0.000     136.60  3.61   0.0      2     183.34/    184.12
   2      0.188  0.583  0.000     131.23  3.31  13.2      1     180.81/    180.81

   SET #1 of 3 TRIAL #7 of 485
   ---------------------------
   Ensemble ensemble1 Euler 341.91  55.29 326.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #8 of 485
   ---------------------------
   Ensemble ensemble1 Euler  33.84 107.99 140.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.231  0.301  0.000     180.33  3.46

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #8 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.231  0.301  0.000     134.14  3.46   0.0      1     180.33/    180.33

   SET #1 of 3 TRIAL #9 of 485
   ---------------------------
   Ensemble ensemble1 Euler  13.08 111.95 142.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #10 of 485
   ----------------------------
   Ensemble ensemble1 Euler  72.78 135.40 106.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.075  0.738  0.000     181.87  3.54

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #10 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.075  0.738  0.000     132.70  3.54   0.0      1     181.87/    181.87

   SET #1 of 3 TRIAL #11 of 485
   ----------------------------
   Ensemble ensemble1 Euler  84.09 136.55 106.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #12 of 485
   ----------------------------
   Ensemble ensemble1 Euler  66.42 131.43 105.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #13 of 485
   ----------------------------
   Ensemble ensemble1 Euler  60.05 127.49 103.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #14 of 485
   ----------------------------
   Ensemble ensemble1 Euler 146.94  74.85 320.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #15 of 485
   ----------------------------
   Ensemble ensemble1 Euler 234.11 114.04 144.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #16 of 485
   ----------------------------
   Ensemble ensemble1 Euler 238.93 112.01 105.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #17 of 485
   ----------------------------
   Ensemble ensemble1 Euler 188.69  65.99 326.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #18 of 485
   ----------------------------
   Ensemble ensemble1 Euler 176.72  70.07 323.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #19 of 485
   ----------------------------
   Ensemble ensemble1 Euler 133.08 111.95 142.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #20 of 485
   ----------------------------
   Ensemble ensemble1 Euler 185.93  66.35 280.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #21 of 485
   ----------------------------
   Ensemble ensemble1 Euler  41.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #22 of 485
   ----------------------------
   Ensemble ensemble1 Euler 298.50  71.23 322.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #23 of 485
   ----------------------------
   Ensemble ensemble1 Euler 149.07  76.07 311.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #24 of 485
   ----------------------------
   Ensemble ensemble1 Euler 294.56 108.54 132.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #25 of 485
   ----------------------------
   Ensemble ensemble1 Euler   6.72 109.82 104.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.029  0.009  0.000     177.09  3.91

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #25 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.029  0.009  0.000     129.46  3.91   0.0      1     177.09/    177.09

   SET #1 of 3 TRIAL #26 of 485
   ----------------------------
   Ensemble ensemble1 Euler 291.56 102.75 129.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #27 of 485
   ----------------------------
   Ensemble ensemble1 Euler  96.74 114.30 144.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #28 of 485
   ----------------------------
   Ensemble ensemble1 Euler 311.12 136.34 106.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #29 of 485
   ----------------------------
   Ensemble ensemble1 Euler 304.56  69.17 324.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #30 of 485
   ----------------------------
   Ensemble ensemble1 Euler  48.86  70.96 322.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #31 of 485
   ----------------------------
   Ensemble ensemble1 Euler  74.05 142.25 107.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #32 of 485
   ----------------------------
   Ensemble ensemble1 Euler 317.42 140.35 107.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #33 of 485
   ----------------------------
   Ensemble ensemble1 Euler  43.79 129.14 104.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #34 of 485
   ----------------------------
   Ensemble ensemble1 Euler 159.22  70.69 323.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #35 of 485
   ----------------------------
   Ensemble ensemble1 Euler 103.67  41.89 289.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #36 of 485
   ----------------------------
   Ensemble ensemble1 Euler 240.43 116.20  99.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #37 of 485
   ----------------------------
   Ensemble ensemble1 Euler 356.42  53.75 328.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #38 of 485
   ----------------------------
   Ensemble ensemble1 Euler   0.18  45.06 288.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #39 of 485
   ----------------------------
   Ensemble ensemble1 Euler 342.32  40.09 289.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #40 of 485
   ----------------------------
   Ensemble ensemble1 Euler 153.11  72.76 321.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #41 of 485
   ----------------------------
   Ensemble ensemble1 Euler 251.73 117.30 100.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #42 of 485
   ----------------------------
   Ensemble ensemble1 Euler 224.91  57.09 325.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #43 of 485
   ----------------------------
   Ensemble ensemble1 Euler 351.10 117.65 147.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #44 of 485
   ----------------------------
   Ensemble ensemble1 Euler 115.95 111.31 104.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #45 of 485
   ----------------------------
   Ensemble ensemble1 Euler 280.68 104.25 130.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #46 of 485
   ----------------------------
   Ensemble ensemble1 Euler 335.42  40.30 289.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #47 of 485
   ----------------------------
   Ensemble ensemble1 Euler  92.13  69.13 286.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #48 of 485
   ----------------------------
   Ensemble ensemble1 Euler 200.21  67.40 325.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #49 of 485
   ----------------------------
   Ensemble ensemble1 Euler 129.69 110.51 104.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #50 of 485
   ----------------------------
   Ensemble ensemble1 Euler  72.39  68.28 324.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #51 of 485
   ----------------------------
   Ensemble ensemble1 Euler  25.22  73.67 321.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #52 of 485
   ----------------------------
   Ensemble ensemble1 Euler 269.83 105.74 131.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #53 of 485
   ----------------------------
   Ensemble ensemble1 Euler  15.64 111.91 105.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #54 of 485
   ----------------------------
   Ensemble ensemble1 Euler 349.22  39.88 289.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #55 of 485
   ----------------------------
   Ensemble ensemble1 Euler  57.73  64.85 281.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #56 of 485
   ----------------------------
   Ensemble ensemble1 Euler 205.75 135.61 106.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #57 of 485
   ----------------------------
   Ensemble ensemble1 Euler 132.61  74.33 305.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #58 of 485
   ----------------------------
   Ensemble ensemble1 Euler 310.55  67.13 325.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #59 of 485
   ----------------------------
   Ensemble ensemble1 Euler 196.14  70.49 285.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #60 of 485
   ----------------------------
   Ensemble ensemble1 Euler 146.36 116.60 100.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #61 of 485
   ----------------------------
   Ensemble ensemble1 Euler 313.85  70.69 285.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #62 of 485
   ----------------------------
   Ensemble ensemble1 Euler 216.69  68.73 286.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.302  0.653  0.000     175.00  4.25

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 3 TRIAL #62 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.302  0.653  0.000     130.86  4.25   0.0      1     175.00/    175.00

   SET #1 of 3 TRIAL #63 of 485
   ----------------------------
   Ensemble ensemble1 Euler  95.64 123.56 143.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #64 of 485
   ----------------------------
   Ensemble ensemble1 Euler 117.35 110.37 141.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #65 of 485
   ----------------------------
   Ensemble ensemble1 Euler  66.36  70.33 323.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #66 of 485
   ----------------------------
   Ensemble ensemble1 Euler  18.07  49.99 286.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #67 of 485
   ----------------------------
   Ensemble ensemble1 Euler 207.17  38.71 290.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #68 of 485
   ----------------------------
   Ensemble ensemble1 Euler 247.87 114.11 106.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #69 of 485
   ----------------------------
   Ensemble ensemble1 Euler 320.71  70.10 286.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #70 of 485
   ----------------------------
   Ensemble ensemble1 Euler 179.02  66.55 280.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #71 of 485
   ----------------------------
   Ensemble ensemble1 Euler  53.67 123.58 102.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #72 of 485
   ----------------------------
   Ensemble ensemble1 Euler 216.26 110.71 104.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #73 of 485
   ----------------------------
   Ensemble ensemble1 Euler 217.05 136.76 106.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #74 of 485
   ----------------------------
   Ensemble ensemble1 Euler 101.91  55.29 326.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #75 of 485
   ----------------------------
   Ensemble ensemble1 Euler 218.33 112.47 143.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #76 of 485
   ----------------------------
   Ensemble ensemble1 Euler  90.38 140.56 107.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #77 of 485
   ----------------------------
   Ensemble ensemble1 Euler  78.35  66.25 326.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #78 of 485
   ----------------------------
   Ensemble ensemble1 Euler 286.19  75.40 319.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #79 of 485
   ----------------------------
   Ensemble ensemble1 Euler 304.77 132.37 105.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #80 of 485
   ----------------------------
   Ensemble ensemble1 Euler 192.84  66.15 280.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #81 of 485
   ----------------------------
   Ensemble ensemble1 Euler 287.07  69.80 323.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #82 of 485
   ----------------------------
   Ensemble ensemble1 Euler 200.27  38.92 290.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #83 of 485
   ----------------------------
   Ensemble ensemble1 Euler 110.57  41.68 289.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #84 of 485
   ----------------------------
   Ensemble ensemble1 Euler 298.40 128.42 104.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #85 of 485
   ----------------------------
   Ensemble ensemble1 Euler 230.00 109.92 104.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #86 of 485
   ----------------------------
   Ensemble ensemble1 Euler  48.82  65.26 318.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #87 of 485
   ----------------------------
   Ensemble ensemble1 Euler  31.35  71.59 322.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #88 of 485
   ----------------------------
   Ensemble ensemble1 Euler 189.28  71.08 285.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #89 of 485
   ----------------------------
   Ensemble ensemble1 Euler 138.62 112.61 105.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #90 of 485
   ----------------------------
   Ensemble ensemble1 Euler  92.25  63.84 281.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #91 of 485
   ----------------------------
   Ensemble ensemble1 Euler 121.73 107.76 110.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #92 of 485
   ----------------------------
   Ensemble ensemble1 Euler  37.41 125.22 103.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #93 of 485
   ----------------------------
   Ensemble ensemble1 Euler 207.01 142.46 107.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #94 of 485
   ----------------------------
   Ensemble ensemble1 Euler 335.96  62.33 321.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #95 of 485
   ----------------------------
   Ensemble ensemble1 Euler  87.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #96 of 485
   ----------------------------
   Ensemble ensemble1 Euler 161.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #97 of 485
   ----------------------------
   Ensemble ensemble1 Euler 148.84 113.52 144.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #98 of 485
   ----------------------------
   Ensemble ensemble1 Euler 102.21 112.11 105.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #99 of 485
   ----------------------------
   Ensemble ensemble1 Euler  37.42  69.53 323.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #100 of 485
   -----------------------------
   Ensemble ensemble1 Euler 342.27 126.76 146.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #101 of 485
   -----------------------------
   Ensemble ensemble1 Euler 328.52  40.51 289.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #102 of 485
   -----------------------------
   Ensemble ensemble1 Euler 320.83  37.99 300.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #103 of 485
   -----------------------------
   Ensemble ensemble1 Euler  74.86 126.41 145.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #104 of 485
   -----------------------------
   Ensemble ensemble1 Euler 183.12 133.31 105.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #105 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.67 124.72 144.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #106 of 485
   -----------------------------
   Ensemble ensemble1 Euler  85.28  69.71 286.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #107 of 485
   -----------------------------
   Ensemble ensemble1 Euler 209.84  69.32 286.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #108 of 485
   -----------------------------
   Ensemble ensemble1 Euler 207.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #109 of 485
   -----------------------------
   Ensemble ensemble1 Euler 308.87 105.00 123.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #110 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #111 of 485
   -----------------------------
   Ensemble ensemble1 Euler  40.20 138.76 107.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #112 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.34 140.77 107.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #113 of 485
   -----------------------------
   Ensemble ensemble1 Euler  54.91  68.91 324.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #114 of 485
   -----------------------------
   Ensemble ensemble1 Euler  99.37 107.67 110.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #115 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.29 117.00 100.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #116 of 485
   -----------------------------
   Ensemble ensemble1 Euler 263.04 118.40 100.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #117 of 485
   -----------------------------
   Ensemble ensemble1 Euler 194.44 134.46 106.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #118 of 485
   -----------------------------
   Ensemble ensemble1 Euler 121.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #119 of 485
   -----------------------------
   Ensemble ensemble1 Euler 126.65  71.99 314.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #120 of 485
   -----------------------------
   Ensemble ensemble1 Euler 199.74  65.95 280.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #121 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.43  44.53 288.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #122 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.74 125.88 145.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #123 of 485
   -----------------------------
   Ensemble ensemble1 Euler 221.40 127.90 147.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #124 of 485
   -----------------------------
   Ensemble ensemble1 Euler 237.66 119.50 140.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #125 of 485
   -----------------------------
   Ensemble ensemble1 Euler 214.07  38.50 290.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #126 of 485
   -----------------------------
   Ensemble ensemble1 Euler 172.12  66.75 280.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #127 of 485
   -----------------------------
   Ensemble ensemble1 Euler 239.49  55.54 326.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #128 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.44  51.06 278.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #129 of 485
   -----------------------------
   Ensemble ensemble1 Euler 239.65 139.08 107.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #130 of 485
   -----------------------------
   Ensemble ensemble1 Euler  26.63  74.16 313.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #131 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.42  70.30 286.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #132 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.41 104.24 137.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #133 of 485
   -----------------------------
   Ensemble ensemble1 Euler 203.07  37.79 300.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #134 of 485
   -----------------------------
   Ensemble ensemble1 Euler  18.49  74.70 305.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #135 of 485
   -----------------------------
   Ensemble ensemble1 Euler 136.04  75.16 297.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #136 of 485
   -----------------------------
   Ensemble ensemble1 Euler 321.62  40.73 289.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #137 of 485
   -----------------------------
   Ensemble ensemble1 Euler  20.88  44.43 288.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #138 of 485
   -----------------------------
   Ensemble ensemble1 Euler  24.59 114.01 106.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #139 of 485
   -----------------------------
   Ensemble ensemble1 Euler 119.85 117.13 138.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #140 of 485
   -----------------------------
   Ensemble ensemble1 Euler 284.65 115.08 145.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #141 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.47 106.61 109.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #142 of 485
   -----------------------------
   Ensemble ensemble1 Euler 335.21 116.11 146.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #143 of 485
   -----------------------------
   Ensemble ensemble1 Euler 301.62  74.71 312.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #144 of 485
   -----------------------------
   Ensemble ensemble1 Euler 227.87  38.07 290.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #145 of 485
   -----------------------------
   Ensemble ensemble1 Euler 322.31  63.11 328.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #146 of 485
   -----------------------------
   Ensemble ensemble1 Euler  41.34 112.44 135.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #147 of 485
   -----------------------------
   Ensemble ensemble1 Euler  98.98  68.54 286.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #148 of 485
   -----------------------------
   Ensemble ensemble1 Euler 228.33  75.21 290.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #149 of 485
   -----------------------------
   Ensemble ensemble1 Euler 140.09  45.33 279.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #150 of 485
   -----------------------------
   Ensemble ensemble1 Euler 261.60 113.31 105.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #151 of 485
   -----------------------------
   Ensemble ensemble1 Euler 176.75 129.35 104.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #152 of 485
   -----------------------------
   Ensemble ensemble1 Euler 109.69 119.43 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #153 of 485
   -----------------------------
   Ensemble ensemble1 Euler 117.47  41.47 289.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #154 of 485
   -----------------------------
   Ensemble ensemble1 Euler 220.75  41.06 280.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #155 of 485
   -----------------------------
   Ensemble ensemble1 Euler  49.32 128.43  96.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #156 of 485
   -----------------------------
   Ensemble ensemble1 Euler  82.54 128.42 147.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #157 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.71  63.74 281.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #158 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.38 114.56 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #159 of 485
   -----------------------------
   Ensemble ensemble1 Euler 339.52  67.93 325.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #160 of 485
   -----------------------------
   Ensemble ensemble1 Euler 333.72 138.66 107.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #161 of 485
   -----------------------------
   Ensemble ensemble1 Euler 255.55 120.14 140.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #162 of 485
   -----------------------------
   Ensemble ensemble1 Euler   7.08  44.85 288.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #163 of 485
   -----------------------------
   Ensemble ensemble1 Euler  74.79 105.47 123.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #164 of 485
   -----------------------------
   Ensemble ensemble1 Euler 135.59  73.40 321.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #165 of 485
   -----------------------------
   Ensemble ensemble1 Euler   4.12  70.10 315.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #166 of 485
   -----------------------------
   Ensemble ensemble1 Euler  64.63  64.65 281.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #167 of 485
   -----------------------------
   Ensemble ensemble1 Euler 237.90  46.82 279.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #168 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.02  75.76 319.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #169 of 485
   -----------------------------
   Ensemble ensemble1 Euler 211.69  68.82 324.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #170 of 485
   -----------------------------
   Ensemble ensemble1 Euler 206.69 105.59 116.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #171 of 485
   -----------------------------
   Ensemble ensemble1 Euler 106.58 141.78 117.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #172 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.00  71.27 285.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #173 of 485
   -----------------------------
   Ensemble ensemble1 Euler  70.64 102.19 129.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #174 of 485
   -----------------------------
   Ensemble ensemble1 Euler 220.97  38.28 290.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #175 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.29  74.08 291.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #176 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.10  38.61 300.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #177 of 485
   -----------------------------
   Ensemble ensemble1 Euler 105.82  67.95 287.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #178 of 485
   -----------------------------
   Ensemble ensemble1 Euler  36.00 118.60 100.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #179 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.67  66.78 326.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #180 of 485
   -----------------------------
   Ensemble ensemble1 Euler  50.82  65.05 281.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #181 of 485
   -----------------------------
   Ensemble ensemble1 Euler 165.80 130.12  96.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #182 of 485
   -----------------------------
   Ensemble ensemble1 Euler 187.97 104.62 130.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #183 of 485
   -----------------------------
   Ensemble ensemble1 Euler 117.98 140.03 107.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #184 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.17 122.67 142.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #185 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.07 110.95 134.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #186 of 485
   -----------------------------
   Ensemble ensemble1 Euler 234.78  37.86 290.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #187 of 485
   -----------------------------
   Ensemble ensemble1 Euler 346.43  42.98 279.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #188 of 485
   -----------------------------
   Ensemble ensemble1 Euler  96.77  42.10 289.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #189 of 485
   -----------------------------
   Ensemble ensemble1 Euler 182.42  71.66 285.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #190 of 485
   -----------------------------
   Ensemble ensemble1 Euler  49.51 109.58 141.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #191 of 485
   -----------------------------
   Ensemble ensemble1 Euler 124.37  41.26 289.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #192 of 485
   -----------------------------
   Ensemble ensemble1 Euler  20.30 106.02 131.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #193 of 485
   -----------------------------
   Ensemble ensemble1 Euler 179.57  39.56 289.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #194 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.13 115.10  99.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #195 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.97 110.61 104.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #196 of 485
   -----------------------------
   Ensemble ensemble1 Euler 319.32 105.97 116.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #197 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.73 120.22 101.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #198 of 485
   -----------------------------
   Ensemble ensemble1 Euler 120.19 140.94 117.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #199 of 485
   -----------------------------
   Ensemble ensemble1 Euler 230.39  67.56 287.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #200 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #201 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.98  77.71 310.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #202 of 485
   -----------------------------
   Ensemble ensemble1 Euler  64.54 127.81 147.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #203 of 485
   -----------------------------
   Ensemble ensemble1 Euler 231.00  76.19 297.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #204 of 485
   -----------------------------
   Ensemble ensemble1 Euler 170.37 125.43 103.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #205 of 485
   -----------------------------
   Ensemble ensemble1 Euler 200.36  61.99 329.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #206 of 485
   -----------------------------
   Ensemble ensemble1 Euler 348.10  67.75 287.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #207 of 485
   -----------------------------
   Ensemble ensemble1 Euler  96.57 144.58 108.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #208 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.07  76.07 311.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #209 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.14  71.85 285.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #210 of 485
   -----------------------------
   Ensemble ensemble1 Euler 321.72 129.55 148.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #211 of 485
   -----------------------------
   Ensemble ensemble1 Euler 103.18 125.61 145.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #212 of 485
   -----------------------------
   Ensemble ensemble1 Euler 325.49 112.21 105.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #213 of 485
   -----------------------------
   Ensemble ensemble1 Euler 339.73  62.50 329.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #214 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.71  72.37 292.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #215 of 485
   -----------------------------
   Ensemble ensemble1 Euler 171.42  51.27 278.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #216 of 485
   -----------------------------
   Ensemble ensemble1 Euler 347.60 107.19 110.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #217 of 485
   -----------------------------
   Ensemble ensemble1 Euler 193.96 103.49 122.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #218 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.16 143.06 118.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #219 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.26  68.34 286.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #220 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.14  71.18 315.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #221 of 485
   -----------------------------
   Ensemble ensemble1 Euler 113.01 105.65 131.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #222 of 485
   -----------------------------
   Ensemble ensemble1 Euler 147.74 123.17 102.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #223 of 485
   -----------------------------
   Ensemble ensemble1 Euler 251.88  47.04 279.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #224 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.74 105.03 116.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #225 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.53 136.87 106.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #226 of 485
   -----------------------------
   Ensemble ensemble1 Euler 203.40 127.29 146.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #227 of 485
   -----------------------------
   Ensemble ensemble1 Euler 199.38 114.56 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #228 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.42  53.75 328.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #229 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.54  68.15 287.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #230 of 485
   -----------------------------
   Ensemble ensemble1 Euler 310.40 105.58 138.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #231 of 485
   -----------------------------
   Ensemble ensemble1 Euler 111.68 136.03 106.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #232 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.13  54.43 277.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #233 of 485
   -----------------------------
   Ensemble ensemble1 Euler  27.78  44.21 288.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #234 of 485
   -----------------------------
   Ensemble ensemble1 Euler  71.57  70.88 285.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #235 of 485
   -----------------------------
   Ensemble ensemble1 Euler 177.13 106.11 131.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #236 of 485
   -----------------------------
   Ensemble ensemble1 Euler 289.51  63.34 281.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #237 of 485
   -----------------------------
   Ensemble ensemble1 Euler 200.14 102.87 114.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #238 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.77 106.30 131.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #239 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.56  37.37 300.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #240 of 485
   -----------------------------
   Ensemble ensemble1 Euler  71.54  64.45 281.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #241 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.73 124.10 143.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #242 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.56  69.52 286.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #243 of 485
   -----------------------------
   Ensemble ensemble1 Euler 249.14  73.89 313.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #244 of 485
   -----------------------------
   Ensemble ensemble1 Euler 189.07 103.43 115.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #245 of 485
   -----------------------------
   Ensemble ensemble1 Euler 243.28 141.68 117.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #246 of 485
   -----------------------------
   Ensemble ensemble1 Euler 152.48 103.31 129.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #247 of 485
   -----------------------------
   Ensemble ensemble1 Euler  28.91 137.61 106.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #248 of 485
   -----------------------------
   Ensemble ensemble1 Euler 141.14 114.19 136.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #249 of 485
   -----------------------------
   Ensemble ensemble1 Euler  35.94  54.87 285.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #250 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.37  39.23 299.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #251 of 485
   -----------------------------
   Ensemble ensemble1 Euler  31.15 104.53 130.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #252 of 485
   -----------------------------
   Ensemble ensemble1 Euler 297.97 114.28 136.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #253 of 485
   -----------------------------
   Ensemble ensemble1 Euler  38.32 113.21 105.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #254 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.49  52.90 285.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #255 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.39 122.25 102.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #256 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.56 143.90 118.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #257 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.58  64.76 327.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #258 of 485
   -----------------------------
   Ensemble ensemble1 Euler  12.77  77.86 318.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #259 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.14 115.29 137.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #260 of 485
   -----------------------------
   Ensemble ensemble1 Euler 347.87  76.56 304.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #261 of 485
   -----------------------------
   Ensemble ensemble1 Euler 196.35  38.41 300.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #262 of 485
   -----------------------------
   Ensemble ensemble1 Euler 292.02 124.50 103.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #263 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.44 114.31 106.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #264 of 485
   -----------------------------
   Ensemble ensemble1 Euler  89.87  42.31 289.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #265 of 485
   -----------------------------
   Ensemble ensemble1 Euler 161.29  61.82 282.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #266 of 485
   -----------------------------
   Ensemble ensemble1 Euler  84.24  64.24 328.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #267 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.14 130.08 104.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #268 of 485
   -----------------------------
   Ensemble ensemble1 Euler  85.78 104.43 123.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #269 of 485
   -----------------------------
   Ensemble ensemble1 Euler 267.24 138.55 107.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #270 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.08 105.09 130.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #271 of 485
   -----------------------------
   Ensemble ensemble1 Euler 312.34 109.19 133.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #272 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.71  72.14 285.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #273 of 485
   -----------------------------
   Ensemble ensemble1 Euler 268.80  63.95 281.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #274 of 485
   -----------------------------
   Ensemble ensemble1 Euler 265.85  47.25 279.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #275 of 485
   -----------------------------
   Ensemble ensemble1 Euler  82.97  42.53 289.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #276 of 485
   -----------------------------
   Ensemble ensemble1 Euler  98.58 101.94 114.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #277 of 485
   -----------------------------
   Ensemble ensemble1 Euler 204.96 102.46 121.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #278 of 485
   -----------------------------
   Ensemble ensemble1 Euler 348.33  75.21 290.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #279 of 485
   -----------------------------
   Ensemble ensemble1 Euler 191.11 106.51 109.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #280 of 485
   -----------------------------
   Ensemble ensemble1 Euler 355.56 121.86 142.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #281 of 485
   -----------------------------
   Ensemble ensemble1 Euler 322.92 108.63 110.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #282 of 485
   -----------------------------
   Ensemble ensemble1 Euler 270.82 128.93 104.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #283 of 485
   -----------------------------
   Ensemble ensemble1 Euler 305.21 111.16 142.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #284 of 485
   -----------------------------
   Ensemble ensemble1 Euler 171.07  35.20 301.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #285 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.44  64.25 281.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #286 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.14 126.87 103.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #287 of 485
   -----------------------------
   Ensemble ensemble1 Euler 250.94 140.24 107.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #288 of 485
   -----------------------------
   Ensemble ensemble1 Euler 181.62  74.71 312.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #289 of 485
   -----------------------------
   Ensemble ensemble1 Euler 182.88  39.64 299.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #290 of 485
   -----------------------------
   Ensemble ensemble1 Euler  14.01  54.01 327.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #291 of 485
   -----------------------------
   Ensemble ensemble1 Euler 276.90 134.38  97.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #292 of 485
   -----------------------------
   Ensemble ensemble1 Euler  10.15  74.50 298.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #293 of 485
   -----------------------------
   Ensemble ensemble1 Euler 194.89 106.77 131.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #294 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.48 122.49 142.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #295 of 485
   -----------------------------
   Ensemble ensemble1 Euler 224.35 107.76 117.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #296 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.28  36.75 301.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #297 of 485
   -----------------------------
   Ensemble ensemble1 Euler  26.42  69.61 286.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #298 of 485
   -----------------------------
   Ensemble ensemble1 Euler  56.89 125.79 145.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #299 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.83  70.24 308.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #300 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.72  40.94 289.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #301 of 485
   -----------------------------
   Ensemble ensemble1 Euler 195.78 125.26 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #302 of 485
   -----------------------------
   Ensemble ensemble1 Euler 138.17  40.83 289.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #303 of 485
   -----------------------------
   Ensemble ensemble1 Euler 166.21 113.26 143.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #304 of 485
   -----------------------------
   Ensemble ensemble1 Euler 358.55  61.32 282.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #305 of 485
   -----------------------------
   Ensemble ensemble1 Euler 107.35 110.69 119.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #306 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.64  39.85 299.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #307 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.67 142.53 118.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #308 of 485
   -----------------------------
   Ensemble ensemble1 Euler 159.05 124.30 102.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #309 of 485
   -----------------------------
   Ensemble ensemble1 Euler 190.53  44.74 288.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #310 of 485
   -----------------------------
   Ensemble ensemble1 Euler 287.12  41.78 289.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #311 of 485
   -----------------------------
   Ensemble ensemble1 Euler 163.19  72.47 306.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #312 of 485
   -----------------------------
   Ensemble ensemble1 Euler  22.57 133.62 105.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #313 of 485
   -----------------------------
   Ensemble ensemble1 Euler 317.34  99.98 113.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #314 of 485
   -----------------------------
   Ensemble ensemble1 Euler  99.16  63.64 281.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #315 of 485
   -----------------------------
   Ensemble ensemble1 Euler 315.01 119.93 149.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #316 of 485
   -----------------------------
   Ensemble ensemble1 Euler  42.30  43.84 279.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #317 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.71  48.21 287.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #318 of 485
   -----------------------------
   Ensemble ensemble1 Euler 134.28 138.34 106.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #319 of 485
   -----------------------------
   Ensemble ensemble1 Euler 258.13  68.99 324.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #320 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.08  72.84 306.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #321 of 485
   -----------------------------
   Ensemble ensemble1 Euler 274.59  53.11 285.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #322 of 485
   -----------------------------
   Ensemble ensemble1 Euler 189.62  39.02 300.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #323 of 485
   -----------------------------
   Ensemble ensemble1 Euler 169.65 113.36 136.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #324 of 485
   -----------------------------
   Ensemble ensemble1 Euler  33.29 136.08  97.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #325 of 485
   -----------------------------
   Ensemble ensemble1 Euler  73.53 117.31 138.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #326 of 485
   -----------------------------
   Ensemble ensemble1 Euler 143.07 142.31 118.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #327 of 485
   -----------------------------
   Ensemble ensemble1 Euler 150.57 136.66 106.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #328 of 485
   -----------------------------
   Ensemble ensemble1 Euler 187.27 101.05 121.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #329 of 485
   -----------------------------
   Ensemble ensemble1 Euler 286.19 107.66 117.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #330 of 485
   -----------------------------
   Ensemble ensemble1 Euler 185.42 126.67 146.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #331 of 485
   -----------------------------
   Ensemble ensemble1 Euler 140.53 142.36 107.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #332 of 485
   -----------------------------
   Ensemble ensemble1 Euler 246.46  76.00 297.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #333 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.92  41.36 289.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #334 of 485
   -----------------------------
   Ensemble ensemble1 Euler 174.28 100.32 127.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #335 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.50  77.43 311.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #336 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.33  74.22 298.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #337 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.65  61.52 282.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #338 of 485
   -----------------------------
   Ensemble ensemble1 Euler 306.24 136.36 145.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #339 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.32 138.13 106.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #340 of 485
   -----------------------------
   Ensemble ensemble1 Euler  73.41  33.13 302.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #341 of 485
   -----------------------------
   Ensemble ensemble1 Euler  43.91  65.25 281.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #342 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.76 143.27 118.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #343 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.37 105.40 116.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #344 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.64  36.44 301.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #345 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.26 104.99 130.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #346 of 485
   -----------------------------
   Ensemble ensemble1 Euler 154.39  62.03 282.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #347 of 485
   -----------------------------
   Ensemble ensemble1 Euler 207.52 108.39 125.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #348 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.41  77.04 296.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #349 of 485
   -----------------------------
   Ensemble ensemble1 Euler  87.51 102.50 114.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #350 of 485
   -----------------------------
   Ensemble ensemble1 Euler 236.50  77.43 311.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #351 of 485
   -----------------------------
   Ensemble ensemble1 Euler  66.71  33.75 302.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #352 of 485
   -----------------------------
   Ensemble ensemble1 Euler 141.61 104.81 130.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #353 of 485
   -----------------------------
   Ensemble ensemble1 Euler 284.29 114.62 106.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #354 of 485
   -----------------------------
   Ensemble ensemble1 Euler 188.92  56.93 276.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #355 of 485
   -----------------------------
   Ensemble ensemble1 Euler 123.16  77.59 318.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #356 of 485
   -----------------------------
   Ensemble ensemble1 Euler 151.97  40.41 289.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #357 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.81 141.76 128.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #358 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.06 107.59 147.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #359 of 485
   -----------------------------
   Ensemble ensemble1 Euler 202.51 111.51 105.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #360 of 485
   -----------------------------
   Ensemble ensemble1 Euler 216.12  75.81 304.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #361 of 485
   -----------------------------
   Ensemble ensemble1 Euler 349.98 128.77 148.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #362 of 485
   -----------------------------
   Ensemble ensemble1 Euler 249.81  48.42 287.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #363 of 485
   -----------------------------
   Ensemble ensemble1 Euler  15.66 144.65 118.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #364 of 485
   -----------------------------
   Ensemble ensemble1 Euler 280.14 104.62 123.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #365 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.61  63.54 281.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #366 of 485
   -----------------------------
   Ensemble ensemble1 Euler 354.09  75.52 312.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #367 of 485
   -----------------------------
   Ensemble ensemble1 Euler 172.67  39.77 289.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #368 of 485
   -----------------------------
   Ensemble ensemble1 Euler 145.07  40.62 289.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #369 of 485
   -----------------------------
   Ensemble ensemble1 Euler 254.01  54.01 327.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #370 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.07  71.05 322.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #371 of 485
   -----------------------------
   Ensemble ensemble1 Euler 302.19  52.28 286.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #372 of 485
   -----------------------------
   Ensemble ensemble1 Euler 345.01 139.82 107.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #373 of 485
   -----------------------------
   Ensemble ensemble1 Euler   5.47  77.67 303.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #374 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.42  42.42 289.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #375 of 485
   -----------------------------
   Ensemble ensemble1 Euler 290.63 117.90 100.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #376 of 485
   -----------------------------
   Ensemble ensemble1 Euler 295.29  52.49 286.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #377 of 485
   -----------------------------
   Ensemble ensemble1 Euler  63.54  54.04 285.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #378 of 485
   -----------------------------
   Ensemble ensemble1 Euler 276.19  36.58 290.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #379 of 485
   -----------------------------
   Ensemble ensemble1 Euler 290.14  69.13 308.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #380 of 485
   -----------------------------
   Ensemble ensemble1 Euler  66.89 109.31 141.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #381 of 485
   -----------------------------
   Ensemble ensemble1 Euler 133.81 140.09 117.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #382 of 485
   -----------------------------
   Ensemble ensemble1 Euler 332.46  42.77 279.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #383 of 485
   -----------------------------
   Ensemble ensemble1 Euler 325.56 144.97 119.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #384 of 485
   -----------------------------
   Ensemble ensemble1 Euler 358.50 124.60 103.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #385 of 485
   -----------------------------
   Ensemble ensemble1 Euler 186.89 109.31 141.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #386 of 485
   -----------------------------
   Ensemble ensemble1 Euler 164.35  35.82 301.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #387 of 485
   -----------------------------
   Ensemble ensemble1 Euler 354.95  67.16 287.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #388 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.40  68.24 287.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #389 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.79  66.57 287.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #390 of 485
   -----------------------------
   Ensemble ensemble1 Euler  76.07  42.74 289.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #391 of 485
   -----------------------------
   Ensemble ensemble1 Euler 224.61 128.97 112.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #392 of 485
   -----------------------------
   Ensemble ensemble1 Euler  25.61  74.31 298.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #393 of 485
   -----------------------------
   Ensemble ensemble1 Euler   2.54 105.37 130.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #394 of 485
   -----------------------------
   Ensemble ensemble1 Euler 251.34  78.04 303.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #395 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.34 106.04 109.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #396 of 485
   -----------------------------
   Ensemble ensemble1 Euler 303.69 128.95 148.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #397 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.40 103.87 130.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #398 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.80 107.25 147.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #399 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.26  52.96 277.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #400 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.84 114.00  98.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #401 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #402 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.71 106.86 131.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #403 of 485
   -----------------------------
   Ensemble ensemble1 Euler 165.77  39.98 289.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #404 of 485
   -----------------------------
   Ensemble ensemble1 Euler  33.27  69.03 286.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #405 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.34 112.51 105.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #406 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.06 112.41 105.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #407 of 485
   -----------------------------
   Ensemble ensemble1 Euler  39.88  36.23 301.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #408 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.47  76.40 319.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #409 of 485
   -----------------------------
   Ensemble ensemble1 Euler  43.27 104.75 116.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #410 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.57 110.11 104.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #411 of 485
   -----------------------------
   Ensemble ensemble1 Euler 246.99  53.94 285.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #412 of 485
   -----------------------------
   Ensemble ensemble1 Euler 158.97 114.83 137.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #413 of 485
   -----------------------------
   Ensemble ensemble1 Euler  57.67 120.19 149.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #414 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.24  75.44 304.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #415 of 485
   -----------------------------
   Ensemble ensemble1 Euler  12.71  70.78 285.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #416 of 485
   -----------------------------
   Ensemble ensemble1 Euler 253.76  64.73 319.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #417 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.05 105.09 123.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #418 of 485
   -----------------------------
   Ensemble ensemble1 Euler 356.88  76.85 296.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #419 of 485
   -----------------------------
   Ensemble ensemble1 Euler 201.86 108.91 133.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #420 of 485
   -----------------------------
   Ensemble ensemble1 Euler  59.16 113.08 135.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #421 of 485
   -----------------------------
   Ensemble ensemble1 Euler 264.37  75.07 305.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #422 of 485
   -----------------------------
   Ensemble ensemble1 Euler 152.41 121.95 142.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #423 of 485
   -----------------------------
   Ensemble ensemble1 Euler 294.02  41.57 289.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #424 of 485
   -----------------------------
   Ensemble ensemble1 Euler 176.24 102.08 121.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #425 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.67 132.99 105.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #426 of 485
   -----------------------------
   Ensemble ensemble1 Euler 312.42 118.50 139.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #427 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.15 105.66 123.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #428 of 485
   -----------------------------
   Ensemble ensemble1 Euler 218.47 107.35 124.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #429 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.94 123.38 110.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #430 of 485
   -----------------------------
   Ensemble ensemble1 Euler 337.84  61.93 282.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #431 of 485
   -----------------------------
   Ensemble ensemble1 Euler 245.95  73.13 321.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #432 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.70 135.37 144.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #433 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.49 141.04 117.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #434 of 485
   -----------------------------
   Ensemble ensemble1 Euler 323.02 117.04 138.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #435 of 485
   -----------------------------
   Ensemble ensemble1 Euler 183.64  62.46 312.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #436 of 485
   -----------------------------
   Ensemble ensemble1 Euler 159.88 124.01 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #437 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.99  76.18 304.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #438 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.77 145.06 130.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #439 of 485
   -----------------------------
   Ensemble ensemble1 Euler  57.05 104.06 122.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #440 of 485
   -----------------------------
   Ensemble ensemble1 Euler   7.57 142.14 107.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #441 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.71  80.99 308.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #442 of 485
   -----------------------------
   Ensemble ensemble1 Euler 179.64  71.23 292.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #443 of 485
   -----------------------------
   Ensemble ensemble1 Euler 231.77  61.73 313.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #444 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.59  35.61 301.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #445 of 485
   -----------------------------
   Ensemble ensemble1 Euler 328.00  60.25 314.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #446 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.12  39.13 280.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #447 of 485
   -----------------------------
   Ensemble ensemble1 Euler  58.23  37.75 290.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #448 of 485
   -----------------------------
   Ensemble ensemble1 Euler 151.50  74.97 297.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #449 of 485
   -----------------------------
   Ensemble ensemble1 Euler 296.11  39.72 309.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #450 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.71  38.10 300.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #451 of 485
   -----------------------------
   Ensemble ensemble1 Euler  51.32  37.96 290.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #452 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.88  74.41 298.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #453 of 485
   -----------------------------
   Ensemble ensemble1 Euler 318.50  42.56 279.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #454 of 485
   -----------------------------
   Ensemble ensemble1 Euler 319.27  70.72 300.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #455 of 485
   -----------------------------
   Ensemble ensemble1 Euler 107.33  67.04 325.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #456 of 485
   -----------------------------
   Ensemble ensemble1 Euler   6.37 142.42 118.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #457 of 485
   -----------------------------
   Ensemble ensemble1 Euler 208.90 111.05 134.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #458 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.11  58.60 333.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #459 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.43  70.98 285.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #460 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.52  48.29 323.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #461 of 485
   -----------------------------
   Ensemble ensemble1 Euler 153.28  64.31 311.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #462 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.43 104.84 116.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #463 of 485
   -----------------------------
   Ensemble ensemble1 Euler 150.92  37.06 300.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #464 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.54 110.81 104.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #465 of 485
   -----------------------------
   Ensemble ensemble1 Euler  54.33 104.18 115.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #466 of 485
   -----------------------------
   Ensemble ensemble1 Euler 209.80  37.16 300.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #467 of 485
   -----------------------------
   Ensemble ensemble1 Euler 329.52 118.50 100.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #468 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.86 145.54 108.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #469 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.79 126.89 111.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #470 of 485
   -----------------------------
   Ensemble ensemble1 Euler 144.87 141.26 127.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #471 of 485
   -----------------------------
   Ensemble ensemble1 Euler  39.33 102.65 122.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #472 of 485
   -----------------------------
   Ensemble ensemble1 Euler 106.06  63.44 281.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #473 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.77  60.28 331.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #474 of 485
   -----------------------------
   Ensemble ensemble1 Euler 177.82 124.63 144.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #475 of 485
   -----------------------------
   Ensemble ensemble1 Euler 144.19  37.68 300.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #476 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.30  41.48 308.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #477 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.09  45.12 326.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #478 of 485
   -----------------------------
   Ensemble ensemble1 Euler 167.44 126.05 145.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #479 of 485
   -----------------------------
   Ensemble ensemble1 Euler  65.13  37.54 290.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #480 of 485
   -----------------------------
   Ensemble ensemble1 Euler 241.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #481 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.77  40.57 299.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #482 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.55  68.83 286.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #483 of 485
   -----------------------------
   Ensemble ensemble1 Euler 355.52  51.23 294.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #484 of 485
   -----------------------------
   Ensemble ensemble1 Euler  63.08  55.05 277.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #485 of 485
   -----------------------------
   Ensemble ensemble1 Euler 216.52  36.54 301.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 193.21 (TFZ=2.7)
   Current Top (ML) Translation Function LLG = 150.14 (TFZ=4.2)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------
TRANSLATION FUNCTION #2 OF 3
----------------------------

   Space Group: P 31

   SOLU SET 
   SOLU SPAC P 31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.836  107.986  140.172 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.737   68.016  325.051 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.259   68.638  324.584 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.736  110.106  141.648 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.471   65.108  327.320 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.993   69.907  286.211 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.914   55.286  326.811 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.836  107.986  140.172 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.079  111.949  142.975 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.781  135.400  106.250 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.087  136.554  106.537 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.424  131.428  105.175 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.046  127.487  103.981 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.942   74.849  320.199 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.109  114.039  144.538 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.925  112.007  105.294 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.689   65.985  326.620 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.715   70.066  323.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.079  111.949  142.975 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.929   66.350  280.643 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.652   72.534  314.144 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.500   71.232  322.695 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.068   76.070  311.939 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.560  108.537  132.902 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.721  109.816  104.244 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.559  102.751  129.357 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.743  114.299  144.737 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.123  136.344  106.486 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.559   69.173  324.187 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.859   70.962  322.888 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.053  142.250  107.762 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.417  140.347  107.390 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.785  129.142  104.498 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.217   70.693  323.080 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.667   41.890  289.280 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.431  116.195   99.876 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.423   53.754  328.197 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.184   45.058  288.386 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.316   40.089  289.757 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.110   72.764  321.620 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.733  117.297  100.323 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.913   57.091  325.254 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.096  117.650  147.411 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  115.948  111.309  104.962 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.684  104.247  130.258 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.416   40.301  289.702 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.128   69.126  286.592 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.208   67.396  325.523 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  129.692  110.512  104.580 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.390   68.283  324.850 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.218   73.669  320.998 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.834  105.741  131.167 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.643  111.907  105.247 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.216   39.877  289.812 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.727   64.849  281.294 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.746  135.609  106.303 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  132.608   74.327  305.629 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.551   67.131  325.727 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.139   70.492  285.923 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.359  116.595  100.039 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.854   70.687  285.827 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.694   68.735  286.782 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.640  123.562  143.518 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.354  110.370  141.835 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.360   70.334  323.339 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.071   49.987  286.862 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.170   38.708  290.106 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  247.874  114.113  106.277 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.709   70.102  286.115 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.022   66.549  280.555 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.670  123.581  102.677 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.256  110.711  104.676 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.052  136.764  106.588 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.914   55.286  326.811 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.330  112.473  143.361 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.378  140.558  107.433 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.351   66.249  326.412 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.192   75.395  319.835 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.774  132.366  105.441 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.836   66.150  280.731 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.070   69.798  323.728 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.269   38.921  290.054 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.567   41.679  289.338 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.399  128.417  104.274 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.003  109.916  104.292 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.817   65.259  318.994 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.352   71.592  322.441 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.283   71.076  285.634 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.622  112.608  105.577 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.253   63.845  281.720 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.725  107.763  110.410 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.406  125.221  103.239 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.011  142.462  107.801 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.957   62.333  321.112 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.347   56.832  325.473 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.652   72.534  314.144 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.845  113.518  144.142 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.208  112.107  105.341 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.423   69.529  323.925 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.273  126.759  146.252 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.515   40.513  289.647 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.832   37.992  300.513 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.857  126.406  145.938 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.123  133.306  105.700 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.674  124.722  144.483 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.277   69.712  286.306 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.845   69.321  286.497 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.872  104.999  123.382 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.205  138.764  107.051 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.338  140.770  107.476 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.910   68.905  324.385 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.370  107.667  110.360 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.287  116.996  100.202 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  263.038  118.403  100.760 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.436  134.456  106.007 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.767   73.507  291.576 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.651   71.992  314.490 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.743   65.951  280.818 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.430   44.531  288.539 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.740  125.876  145.472 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.396  127.900  147.290 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.659  119.502  140.349 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.071   38.496  290.159 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.115   66.749  280.467 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.490   55.543  326.585 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.442   51.062  278.406 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.648  139.081  107.121 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.632   74.164  313.119 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.424   70.297  286.019 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.410  104.244  137.682 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.074   37.785  300.608 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.488   74.699  305.413 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  136.036   75.158  297.889 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.615   40.725  289.591 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.880   44.426  288.570 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   24.590  114.012  106.231 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.853  117.130  138.622 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.652  115.077  145.340 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.468  106.611  109.810 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.215  116.110  146.157 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  301.618   74.708  312.780 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.874   38.070  290.263 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.314   63.108  328.972 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.340  112.435  135.410 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.977   68.539  286.877 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.332   75.210  290.671 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.093   45.332  279.539 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.605  113.309  105.905 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.752  129.350  104.561 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.685  119.429  148.923 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.466   41.467  289.394 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.749   41.057  280.068 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.319  128.427   96.255 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.541  128.424  147.780 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.705   63.744  281.763 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.378  114.559  144.937 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.519   67.927  325.118 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  333.723  138.659  107.028 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.546  120.137  140.826 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.082   44.847  288.448 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.788  105.470  123.652 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.587   73.397  321.184 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.120   70.097  315.715 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.632   64.649  281.380 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.904   46.823  279.288 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.024   75.760  319.592 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.693   68.816  324.451 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.690  105.592  116.465 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.578  141.784  117.792 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.997   71.270  285.537 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   70.643  102.189  129.021 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.973   38.283  290.211 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.291   74.075  291.275 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.103   38.612  300.230 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.823   67.950  287.160 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.002  118.604  100.839 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.673   66.778  326.000 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.821   65.050  281.208 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.797  130.120   96.604 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.969  104.620  130.484 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.976  140.030  107.324 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.171  122.665  142.792 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.067  110.953  134.442 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.776   37.857  290.314 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.430   42.983  279.867 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.768   42.102  289.223 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.425   71.658  285.343 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.505  109.577  141.275 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.366   41.255  289.451 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.302  106.021  131.339 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.567   39.558  289.893 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.134  115.098   99.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.974  110.611  104.628 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.323  105.968  116.670 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.725  120.221  101.458 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  120.193  140.937  117.452 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.386   67.558  287.348 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.652   72.534  314.144 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.980   77.706  310.942 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.539  127.813  147.209 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.997   76.192  297.316 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.373  125.426  103.308 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.364   61.988  329.934 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.105   67.754  287.254 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.573  144.582  108.159 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.068   76.070  311.939 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.138   71.852  285.246 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.716  129.554  148.863 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.183  125.610  145.242 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.491  112.207  105.389 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.729   62.504  329.487 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.711   72.368  292.176 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.421   51.273  278.357 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.595  107.187  110.110 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.956  103.493  122.520 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.164  143.055  118.305 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.259   68.343  286.971 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.144   71.179  315.012 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.011  105.648  131.110 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.736  123.172  102.533 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.878   47.036  279.249 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.742  105.028  116.156 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.534  136.870  106.613 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.402  127.287  146.728 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.378  114.559  144.937 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.423   53.754  328.197 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.541   68.147  287.066 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.398  105.584  138.559 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  111.676  136.029  106.408 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.130   54.426  277.546 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.778   44.215  288.631 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.569   70.881  285.730 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.125  106.114  131.396 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  289.515   63.341  281.931 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.137  102.872  114.971 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.772  106.301  131.511 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.557   37.372  300.799 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.538   64.448  281.466 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.729  124.098  143.960 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.561   69.517  286.402 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.137   73.892  313.288 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.074  103.434  115.281 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  243.280  141.678  117.750 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.478  103.312  129.694 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.908  137.606  106.787 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.140  114.190  136.582 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.943   54.867  285.199 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.371   39.231  299.948 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.147  104.527  130.428 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.973  114.282  136.645 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.321  113.209  105.858 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.488   52.900  285.887 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.386  122.254  102.206 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.560  143.904  118.649 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.580   64.759  327.602 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.772   77.863  318.219 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.142  115.295  137.337 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.865   76.555  304.336 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.346   38.405  300.324 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.021  124.502  102.995 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.442  114.314  106.370 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   89.869   42.314  289.165 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.294   61.825  282.553 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.239   64.236  328.030 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.138  130.076  104.780 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.776  104.434  123.058 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.242  138.554  107.004 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.078  105.087  130.768 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.343  109.189  133.313 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.708   72.143  285.099 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.800   63.945  281.678 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  265.853   47.249  279.210 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.970   42.525  289.107 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.583  101.938  114.454 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.965  102.458  121.929 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.332   75.210  290.671 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.114  106.515  109.759 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.564  121.855  142.149 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.925  108.630  110.858 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.818  128.935  104.434 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.212  111.160  142.402 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.065   35.198  301.818 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.443   64.247  281.551 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.144  126.868  103.782 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.937  140.241  107.368 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  181.618   74.708  312.780 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.881   39.644  299.761 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.009   54.009  327.963 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.900  134.376   97.291 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.146   74.499  298.253 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.889  106.767  131.799 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.480  122.485  142.648 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.348  107.757  117.646 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.279   36.751  301.087 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.419   69.614  286.354 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.887  125.788  145.395 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.834   70.242  308.038 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.716   40.937  289.536 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.778  125.256  144.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.166   40.831  289.564 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.214  113.257  143.945 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.553   61.318  282.757 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.346  110.687  119.239 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.635   39.851  299.668 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.669  142.525  118.091 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.054  124.297  102.925 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.532   44.742  288.478 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.117   41.785  289.309 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.188   72.470  306.717 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   22.573  133.619  105.785 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.345   99.981  113.363 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.158   63.643  281.805 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  315.009  119.934  149.365 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.302   43.838  279.758 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.708   48.209  287.430 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.279  138.343  106.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.126   68.994  324.319 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.075   72.842  306.499 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.589   53.108  285.816 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.615   39.025  300.042 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.650  113.359  136.024 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.294  136.085   97.483 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.527  117.313  138.753 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.071  142.313  118.005 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.570  136.659  106.562 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.266  101.048  121.124 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.188  107.663  117.594 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.419  126.671  146.173 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.532  142.356  107.781 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.460   76.004  297.420 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.916   41.361  289.423 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  174.283  100.317  127.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.497   77.434  311.107 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.335   74.217  298.409 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.649   61.521  282.676 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.237  136.355  145.168 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.316  138.132  106.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.405   33.125  302.822 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.915   65.250  281.122 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.763  143.267  118.391 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.374  105.404  116.362 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.638   36.440  301.232 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.256  104.994  130.711 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.391   62.027  282.471 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.517  108.392  125.338 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.413   77.036  296.847 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.515  102.498  114.765 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.497   77.434  311.107 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.709   33.747  302.517 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.612  104.807  130.598 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.294  114.616  106.508 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.916   56.929  276.818 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  123.156   77.588  318.396 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.965   40.407  289.675 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.809  141.765  128.223 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.060  107.593  147.717 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.513  111.508  105.057 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.119   75.813  304.766 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.976  128.773  148.109 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.809   48.419  287.364 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.661  144.647  118.952 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.141  104.622  123.166 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.610   63.542  281.847 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.090   75.525  312.274 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.666   39.770  289.839 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.065   40.619  289.619 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.009   54.009  327.963 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.073   71.052  322.823 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.185   52.278  286.100 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.014  139.819  107.280 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.474   77.669  303.693 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.419   42.419  289.136 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.626  117.900  100.562 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.286   52.485  286.030 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.542   54.040  285.491 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.189   36.579  290.615 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.137   69.128  308.706 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.891  109.312  141.090 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.812  140.091  117.113 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.464   42.769  279.892 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.562  144.966  119.082 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.504  124.605  103.030 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.891  109.312  141.090 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.354   35.819  301.523 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.948   67.164  287.536 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.400   68.245  287.019 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.789   66.574  287.816 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.070   42.737  289.048 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.607  128.968  112.658 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.605   74.311  298.357 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.544  105.368  130.939 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.341   78.040  303.479 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.343  106.036  109.508 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  303.694  128.947  148.276 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.400  103.873  130.032 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.804  107.247  147.457 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.262   52.958  277.938 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.841  114.005   98.956 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.767   73.507  291.576 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.713  106.861  131.856 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.766   39.983  289.785 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.270   69.028  286.640 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.339  112.507  105.530 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.056  112.407  105.483 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.877   36.233  301.329 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.475   76.399  319.171 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.270  104.746  116.002 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.565  110.114  104.388 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.991   53.937  285.528 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.972  114.835  137.021 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.673  120.186  149.588 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.243   75.442  304.981 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.712   70.784  285.778 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.762   64.725  319.372 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.055  105.093  123.436 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.877   76.849  296.951 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.864  108.910  133.136 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.156  113.082  135.839 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  264.366   75.070  305.197 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.409  121.945  142.220 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.017   41.573  289.366 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.243  102.082  121.714 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.674  132.992  105.615 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.422  118.500  139.610 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.155  105.658  123.760 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.474  107.355  124.738 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.937  123.379  110.348 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.843   61.926  282.512 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.955   73.126  321.371 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.700  135.371  144.223 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.491  141.043  117.495 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.016  117.038  138.557 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.635   62.463  312.865 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.880  124.009  143.886 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.993   76.184  304.551 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.769  145.061  130.390 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.047  104.057  122.843 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.574  142.144  107.742 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.715   80.986  308.975 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.644   71.226  292.773 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  231.766   61.725  313.347 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.591   35.612  301.621 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.004   60.252  314.326 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.115   39.128  280.201 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   58.227   37.751  290.340 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.496   74.970  297.993 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.112   39.718  309.951 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.711   38.095  300.466 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.325   37.964  290.288 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.876   74.405  298.305 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.497   42.556  279.917 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.269   70.725  300.338 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.332   67.042  325.795 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.370  142.419  118.048 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.896  111.046  134.502 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.110   58.596  333.041 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.426   70.979  285.682 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.517   48.291  323.465 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.276   64.310  311.679 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.427  104.840  116.054 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.918   37.061  300.942 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.538  110.810  104.724 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.327  104.183  115.693 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.798   37.165  300.894 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.520  118.504  100.800 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.862  145.537  108.301 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.786  126.891  111.809 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.865  141.264  127.911 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.326  102.646  122.036 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.062   63.442  281.889 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.771   60.281  331.459 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.825  124.633  144.408 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.195   37.682  300.656 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.301   41.480  308.807 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.085   45.123  326.431 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.445  126.053  145.627 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.128   37.538  290.390 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.767   73.507  291.576 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.773   40.573  299.344 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.553   68.832  286.735 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.520   51.232  294.689 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.076   55.053  277.370 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.518   36.544  301.183 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.807  137.334  146.143 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.149  142.364  128.603 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.425   63.571  312.150 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.849  135.819  144.649 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.485   77.411  296.638 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.982  126.935  146.410 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER    3.543  103.715  115.436 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.386  103.621  115.384 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.606  119.223  131.908 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  340.996   36.130  301.377 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  137.468   38.302  300.371 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.602   41.914  279.987 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.039   65.420  310.980 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.144  125.235  111.124 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.229   66.968  287.629 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.262  108.769  125.557 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.198  102.938  129.469 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.179  106.695  124.357 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.776   75.213  319.956 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.298  106.552  146.941 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.944   52.452  294.160 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.065  133.929  142.897 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.600   75.253  312.443 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.471  135.281  144.139 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.813   74.643  290.974 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.469  136.444  145.256 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.175  141.995  117.877 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.828   61.357  313.590 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  244.484   47.936  323.782 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.005  136.266  145.081 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.055  118.415  148.052 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.895   64.146  281.593 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.235   35.923  301.474 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.766   54.884  293.101 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.360   56.702  292.304 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.004  126.318  145.860 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.737   38.922  300.089 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.332  113.295  128.230 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.697  109.995  126.273 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.194  134.381  143.306 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.150  128.448  112.447 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.776   62.836  282.140 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.758  142.264  128.539 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.549  107.286  117.389 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.477   49.704  295.351 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.240   72.938  291.876 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.434  106.626  117.030 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.733   51.842  294.425 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.279   77.982  325.659 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.423   38.177  290.237 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.844   75.440  297.733 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.548  138.064  136.112 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.889   60.988  313.834 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.920  102.563  129.245 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.729   42.656  308.069 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.404   58.345  333.284 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.215  114.708  129.085 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.301   34.991  301.917 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.922   75.816  297.524 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.208   45.822  325.749 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   61.986  137.777  146.596 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.499   38.372  321.993 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.578  108.283  148.242 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.179   71.797  292.475 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.593   78.230  317.983 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.947   60.620  314.079 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.668   39.841  320.617 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.449  131.053  113.502 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.164  105.874  116.619 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.724   72.614  299.295 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  338.530  127.514  112.064 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.401  136.801  145.608 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.957  139.191  137.014 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.557  134.921  143.803 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.135   69.810  286.259 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.860   37.959  311.146 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.567   42.128  279.964 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.762  115.462  129.546 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.153   53.061  293.896 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.765  113.247  120.634 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.048  106.204  146.685 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.545   42.434  318.362 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.981   38.715  300.182 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.547  127.199  146.648 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.644   65.702  303.134 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.955  104.559  115.899 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.706  116.403  130.127 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.947  138.252  136.260 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.148   45.472  326.088 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.564   54.277  293.366 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.189  112.226   98.177 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.057  138.463  126.225 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.496  126.788  111.766 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.059  139.764  126.995 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.411  104.246  122.950 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.240   72.938  291.876 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.997   70.589  285.875 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.132  139.264  126.696 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.437   37.475  300.751 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.899   57.137  276.754 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.026   39.657  320.785 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.293  102.966  115.023 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.065  104.807  145.674 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.458  119.047  140.012 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.769   39.013  321.382 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.383   75.628  297.629 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.532  105.498  116.413 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  299.145   66.556  302.655 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.258   51.436  294.601 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   68.799  129.671  121.426 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.844   59.942  331.771 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  359.512   39.954  299.622 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.829  114.520  128.971 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.348  142.085  139.494 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.474  127.977  120.556 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.659   50.790  321.326 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.309   40.026  320.450 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.248   39.335  299.901 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.299  140.619  117.325 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.300   75.680  327.294 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.637  109.657  149.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.058   59.884  314.574 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.930  135.460  144.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.003   39.541  299.808 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.324  143.382  140.694 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.204   49.124  304.289 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.811  140.501  138.106 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.843  140.968  138.506 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.242   73.404  328.984 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.642  117.814  131.010 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.927  125.167  144.860 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   93.329  134.831  143.719 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.684  146.773  119.828 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.298  106.552  146.941 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.509  141.713  139.160 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  288.375  124.900  144.633 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  210.282  123.715  134.905 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.088   63.022  329.045 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  131.367   55.188  292.968 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.240   72.938  291.876 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.140   71.173  285.585 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.629   40.118  320.367 RFZ  2.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.003  119.410  132.029 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.711  132.569  141.702 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.208   45.822  325.749 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.416   74.593  298.201 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.225  122.314  133.946 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.516  134.110  143.060 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.174  139.753  137.477 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.554   57.306  292.038 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.606  140.407  138.026 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.361  127.679  120.404 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.837   55.058  309.388 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.851   70.005  286.163 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.473  129.063  129.791 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.797   42.806  318.054 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.616  142.641  140.001 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.209  119.035  131.787 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.369  109.314  149.039 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.553  139.003  136.862 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.256   54.868  309.507 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.839  133.839  142.816 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.434   43.244  307.707 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.836  144.028  141.316 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.607   49.602  295.395 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.201   65.892  303.027 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.148   50.887  303.319 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.566   70.081  293.368 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.532   42.342  279.941 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.224   53.378  277.829 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.947   35.302  301.769 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.421   42.992  317.901 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.135  125.718   87.918 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.578   40.893  309.183 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.263   46.173  325.413 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.014  135.101  143.970 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.171  136.934  135.238 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.185   80.307  324.071 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.547   48.646  323.151 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.397   41.505  319.147 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.384   54.583  309.686 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.636   54.014  310.046 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.148   45.472  326.088 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.504   50.300  303.640 RFZ  2.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.418   52.970  310.714 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.962   53.973  293.499 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.965   54.773  309.567 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.383   39.473  320.955 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.045   43.179  317.749 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.315   46.524  325.080 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.883   53.445  310.409 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.702   48.450  270.706 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.564  129.073  121.118 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.468   53.634  310.287 RFZ  1.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.771   49.300  270.625 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.052   53.824  310.166 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.848   40.305  309.564 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.540   49.512  270.602 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.407   47.229  324.425 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.147  138.346  136.335 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  118.752   57.762  333.856 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.703  128.575  120.862 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.620   50.360  270.503 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.348  137.970  136.038 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.037   45.472  270.865 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.636  140.874  138.426 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  226.134   43.832  307.349 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.108  128.873  129.670 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.875  134.651  143.553 RFZ  1.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.018   42.068  308.436 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.221   43.832  317.223 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.856   49.712  303.963 RFZ  1.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.521   42.492  270.809 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  222.219   54.204  309.925 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.517   48.291  323.465 RFZ  1.89
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   This TF set has 700 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     273.8  108.0  140.2     171.3  ensemble1
   2     182.7   68.0  325.1     161.6  ensemble1
   3     165.3   68.6  324.6     157.2  ensemble1
   4     254.7  110.1  141.6     156.0  ensemble1
   5     316.5   65.1  327.3     155.0  ensemble1
   6     203.0   69.9  286.2     153.6  ensemble1
   7     341.9   55.3  326.8     152.9  ensemble1
   8      33.8  108.0  140.2     151.9  ensemble1
   9      13.1  111.9  143.0     151.0  ensemble1
   10     72.8  135.4  106.3     150.0  ensemble1
   11     84.1  136.6  106.5     148.4  ensemble1
   12     66.4  131.4  105.2     147.3  ensemble1
   13     60.0  127.5  104.0     146.6  ensemble1
   14    146.9   74.8  320.2     146.1  ensemble1
   15    234.1  114.0  144.5     145.9  ensemble1
   16    238.9  112.0  105.3     145.7  ensemble1
   17    188.7   66.0  326.6     145.7  ensemble1
   18    176.7   70.1  323.5     145.3  ensemble1
   19    133.1  111.9  143.0     145.1  ensemble1
   20    185.9   66.3  280.6     144.6  ensemble1
   21     41.7   72.5  314.1     144.4  ensemble1
   22    298.5   71.2  322.7     144.2  ensemble1
   23    149.1   76.1  311.9     144.1  ensemble1
   24    294.6  108.5  132.9     143.9  ensemble1
   25      6.7  109.8  104.2     143.8  ensemble1
   26    291.6  102.8  129.4     143.8  ensemble1
   27     96.7  114.3  144.7     143.2  ensemble1
   28    311.1  136.3  106.5     143.1  ensemble1
   29    304.6   69.2  324.2     143.1  ensemble1
   30     48.9   71.0  322.9     143.0  ensemble1
   31     74.1  142.3  107.8     143.0  ensemble1
   32    317.4  140.3  107.4     142.5  ensemble1
   33     43.8  129.1  104.5     142.2  ensemble1
   34    159.2   70.7  323.1     142.0  ensemble1
   35    103.7   41.9  289.3     141.9  ensemble1
   36    240.4  116.2   99.9     141.4  ensemble1
   37    356.4   53.8  328.2     140.9  ensemble1
   38      0.2   45.1  288.4     140.7  ensemble1
   39    342.3   40.1  289.8     140.6  ensemble1
   40    153.1   72.8  321.6     140.3  ensemble1
   41    251.7  117.3  100.3     139.8  ensemble1
   42    224.9   57.1  325.3     139.8  ensemble1
   43    351.1  117.6  147.4     139.5  ensemble1
   44    115.9  111.3  105.0     139.4  ensemble1
   45    280.7  104.2  130.3     139.3  ensemble1
   46    335.4   40.3  289.7     139.1  ensemble1
   47     92.1   69.1  286.6     138.8  ensemble1
   48    200.2   67.4  325.5     138.4  ensemble1
   49    129.7  110.5  104.6     138.4  ensemble1
   50     72.4   68.3  324.9     138.3  ensemble1
   51     25.2   73.7  321.0     137.6  ensemble1
   52    269.8  105.7  131.2     137.6  ensemble1
   53     15.6  111.9  105.2     137.4  ensemble1
   54    349.2   39.9  289.8     137.2  ensemble1
   55     57.7   64.8  281.3     136.7  ensemble1
   56    205.7  135.6  106.3     136.5  ensemble1
   57    132.6   74.3  305.6     136.1  ensemble1
   58    310.6   67.1  325.7     136.1  ensemble1
   59    196.1   70.5  285.9     135.9  ensemble1
   60    146.4  116.6  100.0     135.9  ensemble1
   61    313.9   70.7  285.8     135.8  ensemble1
   62    216.7   68.7  286.8     135.8  ensemble1
   63     95.6  123.6  143.5     135.7  ensemble1
   64    117.4  110.4  141.8     135.1  ensemble1
   65     66.4   70.3  323.3     135.0  ensemble1
   66     18.1   50.0  286.9     134.7  ensemble1
   67    207.2   38.7  290.1     134.3  ensemble1
   68    247.9  114.1  106.3     134.1  ensemble1
   69    320.7   70.1  286.1     134.0  ensemble1
   70    179.0   66.5  280.6     133.7  ensemble1
   71     53.7  123.6  102.7     133.7  ensemble1
   72    216.3  110.7  104.7     133.3  ensemble1
   73    217.1  136.8  106.6     133.3  ensemble1
   74    101.9   55.3  326.8     133.0  ensemble1
   75    218.3  112.5  143.4     132.9  ensemble1
   76     90.4  140.6  107.4     132.9  ensemble1
   77     78.4   66.2  326.4     132.8  ensemble1
   78    286.2   75.4  319.8     132.7  ensemble1
   79    304.8  132.4  105.4     132.7  ensemble1
   80    192.8   66.2  280.7     132.7  ensemble1
   81    287.1   69.8  323.7     132.6  ensemble1
   82    200.3   38.9  290.1     132.6  ensemble1
   83    110.6   41.7  289.3     132.6  ensemble1
   84    298.4  128.4  104.3     132.5  ensemble1
   85    230.0  109.9  104.3     132.4  ensemble1
   86     48.8   65.3  319.0     132.3  ensemble1
   87     31.4   71.6  322.4     131.5  ensemble1
   88    189.3   71.1  285.6     131.4  ensemble1
   89    138.6  112.6  105.6     131.3  ensemble1
   90     92.3   63.8  281.7     131.3  ensemble1
   91    121.7  107.8  110.4     131.1  ensemble1
   92     37.4  125.2  103.2     131.1  ensemble1
   93    207.0  142.5  107.8     130.8  ensemble1
   94    336.0   62.3  321.1     130.8  ensemble1
   95     87.3   56.8  325.5     130.7  ensemble1
   96    161.7   72.5  314.1     130.6  ensemble1
   97    148.8  113.5  144.1     130.6  ensemble1
   98    102.2  112.1  105.3     130.4  ensemble1
   99     37.4   69.5  323.9     130.0  ensemble1
   100   342.3  126.8  146.3     130.0  ensemble1
   101   328.5   40.5  289.6     129.9  ensemble1
   102   320.8   38.0  300.5     129.9  ensemble1
   103    74.9  126.4  145.9     129.8  ensemble1
   104   183.1  133.3  105.7     129.8  ensemble1
   105   334.7  124.7  144.5     129.7  ensemble1
   106    85.3   69.7  286.3     129.6  ensemble1
   107   209.8   69.3  286.5     129.6  ensemble1
   108   207.3   56.8  325.5     129.3  ensemble1
   109   308.9  105.0  123.4     129.2  ensemble1
   110   327.3   56.8  325.5     129.2  ensemble1
   111    40.2  138.8  107.1     129.2  ensemble1
   112   223.3  140.8  107.5     129.1  ensemble1
   113    54.9   68.9  324.4     128.9  ensemble1
   114    99.4  107.7  110.4     128.7  ensemble1
   115    52.3  117.0  100.2     128.7  ensemble1
   116   263.0  118.4  100.8     128.7  ensemble1
   117   194.4  134.5  106.0     128.7  ensemble1
   118   121.8   73.5  291.6     128.3  ensemble1
   119   126.7   72.0  314.5     128.3  ensemble1
   120   199.7   66.0  280.8     128.2  ensemble1
   121   197.4   44.5  288.5     128.2  ensemble1
   122   213.7  125.9  145.5     128.1  ensemble1
   123   221.4  127.9  147.3     128.1  ensemble1
   124   237.7  119.5  140.3     128.0  ensemble1
   125   214.1   38.5  290.2     128.0  ensemble1
   126   172.1   66.7  280.5     127.6  ensemble1
   127   239.5   55.5  326.6     127.5  ensemble1
   128   157.4   51.1  278.4     127.5  ensemble1
   129   239.6  139.1  107.1     127.4  ensemble1
   130    26.6   74.2  313.1     127.3  ensemble1
   131    78.4   70.3  286.0     127.2  ensemble1
   132   157.4  104.2  137.7     127.1  ensemble1
   133   203.1   37.8  300.6     127.1  ensemble1
   134    18.5   74.7  305.4     126.9  ensemble1
   135   136.0   75.2  297.9     126.7  ensemble1
   136   321.6   40.7  289.6     126.0  ensemble1
   137    20.9   44.4  288.6     125.9  ensemble1
   138    24.6  114.0  106.2     125.9  ensemble1
   139   119.9  117.1  138.6     125.9  ensemble1
   140   284.7  115.1  145.3     125.8  ensemble1
   141   213.5  106.6  109.8     125.5  ensemble1
   142   335.2  116.1  146.2     125.5  ensemble1
   143   301.6   74.7  312.8     125.4  ensemble1
   144   227.9   38.1  290.3     125.4  ensemble1
   145   322.3   63.1  329.0     125.3  ensemble1
   146    41.3  112.4  135.4     125.1  ensemble1
   147    99.0   68.5  286.9     125.0  ensemble1
   148   228.3   75.2  290.7     124.8  ensemble1
   149   140.1   45.3  279.5     124.4  ensemble1
   150   261.6  113.3  105.9     124.2  ensemble1
   151   176.8  129.3  104.6     123.9  ensemble1
   152   109.7  119.4  148.9     123.9  ensemble1
   153   117.5   41.5  289.4     123.9  ensemble1
   154   220.7   41.1  280.1     123.7  ensemble1
   155    49.3  128.4   96.3     123.4  ensemble1
   156    82.5  128.4  147.8     123.3  ensemble1
   157   275.7   63.7  281.8     123.2  ensemble1
   158    79.4  114.6  144.9     123.2  ensemble1
   159   339.5   67.9  325.1     123.2  ensemble1
   160   333.7  138.7  107.0     123.1  ensemble1
   161   255.5  120.1  140.8     123.0  ensemble1
   162     7.1   44.8  288.4     122.9  ensemble1
   163    74.8  105.5  123.7     122.6  ensemble1
   164   135.6   73.4  321.2     122.5  ensemble1
   165     4.1   70.1  315.7     122.5  ensemble1
   166    64.6   64.6  281.4     122.4  ensemble1
   167   237.9   46.8  279.3     122.4  ensemble1
   168    19.0   75.8  319.6     122.2  ensemble1
   169   211.7   68.8  324.5     122.1  ensemble1
   170   206.7  105.6  116.5     122.1  ensemble1
   171   106.6  141.8  117.8     122.1  ensemble1
   172   307.0   71.3  285.5     121.4  ensemble1
   173    70.6  102.2  129.0     121.3  ensemble1
   174   221.0   38.3  290.2     121.3  ensemble1
   175   197.3   74.1  291.3     121.2  ensemble1
   176   314.1   38.6  300.2     121.1  ensemble1
   177   105.8   68.0  287.2     120.9  ensemble1
   178    36.0  118.6  100.8     120.8  ensemble1
   179   217.7   66.8  326.0     120.8  ensemble1
   180    50.8   65.0  281.2     120.6  ensemble1
   181   165.8  130.1   96.6     120.6  ensemble1
   182   188.0  104.6  130.5     120.5  ensemble1
   183   118.0  140.0  107.3     120.4  ensemble1
   184   327.2  122.7  142.8     120.4  ensemble1
   185    52.1  111.0  134.4     120.3  ensemble1
   186   234.8   37.9  290.3     120.2  ensemble1
   187   346.4   43.0  279.9     120.2  ensemble1
   188    96.8   42.1  289.2     120.2  ensemble1
   189   182.4   71.7  285.3     120.0  ensemble1
   190    49.5  109.6  141.3     120.0  ensemble1
   191   124.4   41.3  289.5     119.9  ensemble1
   192    20.3  106.0  131.3     119.9  ensemble1
   193   179.6   39.6  289.9     119.9  ensemble1
   194   229.1  115.1   99.4     119.7  ensemble1
   195   353.0  110.6  104.6     119.4  ensemble1
   196   319.3  106.0  116.7     119.3  ensemble1
   197    19.7  120.2  101.5     119.2  ensemble1
   198   120.2  140.9  117.5     119.2  ensemble1
   199   230.4   67.6  287.3     119.1  ensemble1
   200   281.7   72.5  314.1     119.1  ensemble1
   201    14.0   77.7  310.9     118.8  ensemble1
   202    64.5  127.8  147.2     118.4  ensemble1
   203   231.0   76.2  297.3     118.2  ensemble1
   204   170.4  125.4  103.3     118.1  ensemble1
   205   200.4   62.0  329.9     118.1  ensemble1
   206   348.1   67.8  287.3     118.0  ensemble1
   207    96.6  144.6  108.2     118.0  ensemble1
   208   269.1   76.1  311.9     118.0  ensemble1
   209   300.1   71.9  285.2     117.9  ensemble1
   210   321.7  129.6  148.9     117.9  ensemble1
   211   103.2  125.6  145.2     117.9  ensemble1
   212   325.5  112.2  105.4     117.8  ensemble1
   213   339.7   62.5  329.5     117.7  ensemble1
   214   330.7   72.4  292.2     117.7  ensemble1
   215   171.4   51.3  278.4     117.7  ensemble1
   216   347.6  107.2  110.1     117.6  ensemble1
   217   194.0  103.5  122.5     117.6  ensemble1
   218   266.2  143.1  118.3     117.4  ensemble1
   219   341.3   68.3  287.0     117.4  ensemble1
   220   314.1   71.2  315.0     117.2  ensemble1
   221   113.0  105.6  131.1     117.1  ensemble1
   222   147.7  123.2  102.5     116.9  ensemble1
   223   251.9   47.0  279.2     116.7  ensemble1
   224   217.7  105.0  116.2     116.6  ensemble1
   225   283.5  136.9  106.6     116.6  ensemble1
   226   203.4  127.3  146.7     116.3  ensemble1
   227   199.4  114.6  144.9     116.3  ensemble1
   228   116.4   53.8  328.2     116.3  ensemble1
   229   223.5   68.1  287.1     116.2  ensemble1
   230   310.4  105.6  138.6     116.2  ensemble1
   231   111.7  136.0  106.4     116.1  ensemble1
   232    21.1   54.4  277.5     115.8  ensemble1
   233    27.8   44.2  288.6     115.6  ensemble1
   234    71.6   70.9  285.7     115.4  ensemble1
   235   177.1  106.1  131.4     115.3  ensemble1
   236   289.5   63.3  281.9     115.3  ensemble1
   237   200.1  102.9  115.0     115.2  ensemble1
   238   130.8  106.3  131.5     115.2  ensemble1
   239   327.6   37.4  300.8     114.9  ensemble1
   240    71.5   64.4  281.5     114.9  ensemble1
   241   316.7  124.1  144.0     114.7  ensemble1
   242   327.6   69.5  286.4     114.7  ensemble1
   243   249.1   73.9  313.3     114.4  ensemble1
   244   189.1  103.4  115.3     114.1  ensemble1
   245   243.3  141.7  117.7     114.1  ensemble1
   246   152.5  103.3  129.7     114.0  ensemble1
   247    28.9  137.6  106.8     113.8  ensemble1
   248   141.1  114.2  136.6     113.7  ensemble1
   249    35.9   54.9  285.2     113.6  ensemble1
   250   307.4   39.2  299.9     113.6  ensemble1
   251    31.1  104.5  130.4     113.3  ensemble1
   252   298.0  114.3  136.6     113.2  ensemble1
   253    38.3  113.2  105.9     113.2  ensemble1
   254   281.5   52.9  285.9     113.0  ensemble1
   255   269.4  122.3  102.2     112.5  ensemble1
   256   252.6  143.9  118.6     112.3  ensemble1
   257   223.6   64.8  327.6     112.3  ensemble1
   258    12.8   77.9  318.2     112.2  ensemble1
   259   223.1  115.3  137.3     112.1  ensemble1
   260   347.9   76.6  304.3     111.8  ensemble1
   261   196.3   38.4  300.3     111.8  ensemble1
   262   292.0  124.5  103.0     111.6  ensemble1
   263   334.4  114.3  106.4     111.5  ensemble1
   264    89.9   42.3  289.2     111.4  ensemble1
   265   161.3   61.8  282.6     111.2  ensemble1
   266    84.2   64.2  328.0     111.1  ensemble1
   267   282.1  130.1  104.8     111.0  ensemble1
   268    85.8  104.4  123.1     111.0  ensemble1
   269   267.2  138.6  107.0     110.7  ensemble1
   270   252.1  105.1  130.8     110.5  ensemble1
   271   312.3  109.2  133.3     110.3  ensemble1
   272   116.7   72.1  285.1     110.2  ensemble1
   273   268.8   63.9  281.7     110.2  ensemble1
   274   265.9   47.2  279.2     110.1  ensemble1
   275    83.0   42.5  289.1     110.0  ensemble1
   276    98.6  101.9  114.5     109.7  ensemble1
   277   205.0  102.5  121.9     109.7  ensemble1
   278   348.3   75.2  290.7     109.7  ensemble1
   279   191.1  106.5  109.8     109.6  ensemble1
   280   355.6  121.9  142.1     109.4  ensemble1
   281   322.9  108.6  110.9     109.3  ensemble1
   282   270.8  128.9  104.4     109.0  ensemble1
   283   305.2  111.2  142.4     109.0  ensemble1
   284   171.1   35.2  301.8     108.6  ensemble1
   285    78.4   64.2  281.6     108.6  ensemble1
   286    21.1  126.9  103.8     108.5  ensemble1
   287   250.9  140.2  107.4     108.4  ensemble1
   288   181.6   74.7  312.8     108.3  ensemble1
   289   182.9   39.6  299.8     108.3  ensemble1
   290    14.0   54.0  328.0     108.3  ensemble1
   291   276.9  134.4   97.3     108.3  ensemble1
   292    10.1   74.5  298.3     108.2  ensemble1
   293   194.9  106.8  131.8     108.1  ensemble1
   294    13.5  122.5  142.6     107.9  ensemble1
   295   224.3  107.8  117.6     107.8  ensemble1
   296   334.3   36.8  301.1     107.8  ensemble1
   297    26.4   69.6  286.4     107.5  ensemble1
   298    56.9  125.8  145.4     107.3  ensemble1
   299   307.8   70.2  308.0     107.3  ensemble1
   300   314.7   40.9  289.5     107.2  ensemble1
   301   195.8  125.3  144.9     107.2  ensemble1
   302   138.2   40.8  289.6     107.2  ensemble1
   303   166.2  113.3  143.9     107.1  ensemble1
   304   358.6   61.3  282.8     107.1  ensemble1
   305   107.3  110.7  119.2     107.0  ensemble1
   306   300.6   39.9  299.7     106.9  ensemble1
   307   229.7  142.5  118.1     106.7  ensemble1
   308   159.1  124.3  102.9     106.6  ensemble1
   309   190.5   44.7  288.5     106.5  ensemble1
   310   287.1   41.8  289.3     106.3  ensemble1
   311   163.2   72.5  306.7     106.3  ensemble1
   312    22.6  133.6  105.8     106.3  ensemble1
   313   317.3  100.0  113.4     106.2  ensemble1
   314    99.2   63.6  281.8     106.2  ensemble1
   315   315.0  119.9  149.4     106.2  ensemble1
   316    42.3   43.8  279.8     106.1  ensemble1
   317   256.7   48.2  287.4     106.0  ensemble1
   318   134.3  138.3  107.0     106.0  ensemble1
   319   258.1   69.0  324.3     106.0  ensemble1
   320   229.1   72.8  306.5     105.7  ensemble1
   321   274.6   53.1  285.8     105.6  ensemble1
   322   189.6   39.0  300.0     105.3  ensemble1
   323   169.7  113.4  136.0     105.3  ensemble1
   324    33.3  136.1   97.5     105.2  ensemble1
   325    73.5  117.3  138.8     105.1  ensemble1
   326   143.1  142.3  118.0     105.1  ensemble1
   327   150.6  136.7  106.6     105.1  ensemble1
   328   187.3  101.0  121.1     105.0  ensemble1
   329   286.2  107.7  117.6     104.9  ensemble1
   330   185.4  126.7  146.2     104.9  ensemble1
   331   140.5  142.4  107.8     104.8  ensemble1
   332   246.5   76.0  297.4     104.8  ensemble1
   333   300.9   41.4  289.4     104.7  ensemble1
   334   174.3  100.3  127.9     104.7  ensemble1
   335   116.5   77.4  311.1     104.5  ensemble1
   336   213.3   74.2  298.4     104.3  ensemble1
   337   351.6   61.5  282.7     104.2  ensemble1
   338   306.2  136.4  145.2     104.1  ensemble1
   339     1.3  138.1  106.9     103.9  ensemble1
   340    73.4   33.1  302.8     103.8  ensemble1
   341    43.9   65.3  281.1     103.6  ensemble1
   342   352.8  143.3  118.4     103.5  ensemble1
   343   330.4  105.4  116.4     103.4  ensemble1
   344   157.6   36.4  301.2     103.4  ensemble1
   345    95.3  105.0  130.7     103.3  ensemble1
   346   154.4   62.0  282.5     103.1  ensemble1
   347   207.5  108.4  125.3     103.1  ensemble1
   348   341.4   77.0  296.8     103.0  ensemble1
   349    87.5  102.5  114.8     103.0  ensemble1
   350   236.5   77.4  311.1     102.9  ensemble1
   351    66.7   33.7  302.5     102.8  ensemble1
   352   141.6  104.8  130.6     102.7  ensemble1
   353   284.3  114.6  106.5     102.7  ensemble1
   354   188.9   56.9  276.8     102.6  ensemble1
   355   123.2   77.6  318.4     102.6  ensemble1
   356   152.0   40.4  289.7     102.5  ensemble1
   357   256.8  141.8  128.2     102.4  ensemble1
   358    21.1  107.6  147.7     102.3  ensemble1
   359   202.5  111.5  105.1     102.2  ensemble1
   360   216.1   75.8  304.8     102.2  ensemble1
   361   350.0  128.8  148.1     102.2  ensemble1
   362   249.8   48.4  287.4     102.2  ensemble1
   363    15.7  144.6  119.0     102.1  ensemble1
   364   280.1  104.6  123.2     102.0  ensemble1
   365   282.6   63.5  281.8     101.9  ensemble1
   366   354.1   75.5  312.3     101.9  ensemble1
   367   172.7   39.8  289.8     101.5  ensemble1
   368   145.1   40.6  289.6     101.4  ensemble1
   369   254.0   54.0  328.0     101.3  ensemble1
   370   252.1   71.1  322.8     101.3  ensemble1
   371   302.2   52.3  286.1     101.2  ensemble1
   372   345.0  139.8  107.3     101.1  ensemble1
   373     5.5   77.7  303.7     101.1  ensemble1
   374   266.4   42.4  289.1     100.9  ensemble1
   375   290.6  117.9  100.6     100.9  ensemble1
   376   295.3   52.5  286.0     100.8  ensemble1
   377    63.5   54.0  285.5     100.8  ensemble1
   378   276.2   36.6  290.6     100.8  ensemble1
   379   290.1   69.1  308.7     100.6  ensemble1
   380    66.9  109.3  141.1     100.6  ensemble1
   381   133.8  140.1  117.1     100.6  ensemble1
   382   332.5   42.8  279.9     100.6  ensemble1
   383   325.6  145.0  119.1     100.5  ensemble1
   384   358.5  124.6  103.0     100.4  ensemble1
   385   186.9  109.3  141.1     100.3  ensemble1
   386   164.4   35.8  301.5     100.2  ensemble1
   387   354.9   67.2  287.5     100.2  ensemble1
   388   282.4   68.2  287.0     100.1  ensemble1
   389     1.8   66.6  287.8     100.0  ensemble1
   390    76.1   42.7  289.0      99.9  ensemble1
   391   224.6  129.0  112.7      99.8  ensemble1
   392    25.6   74.3  298.4      99.7  ensemble1
   393     2.5  105.4  130.9      99.7  ensemble1
   394   251.3   78.0  303.5      99.7  ensemble1
   395    79.3  106.0  109.5      99.7  ensemble1
   396   303.7  128.9  148.3      99.6  ensemble1
   397    13.4  103.9  130.0      99.4  ensemble1
   398   266.8  107.2  147.5      98.8  ensemble1
   399   283.3   53.0  277.9      98.7  ensemble1
   400   217.8  114.0   99.0      98.6  ensemble1
   401     1.8   73.5  291.6      98.5  ensemble1
   402   351.7  106.9  131.9      98.2  ensemble1
   403   165.8   40.0  289.8      98.2  ensemble1
   404    33.3   69.0  286.6      98.1  ensemble1
   405   275.3  112.5  105.5      98.1  ensemble1
   406    52.1  112.4  105.5      98.0  ensemble1
   407    39.9   36.2  301.3      97.9  ensemble1
   408     1.5   76.4  319.2      97.9  ensemble1
   409    43.3  104.7  116.0      97.9  ensemble1
   410   316.6  110.1  104.4      97.8  ensemble1
   411   247.0   53.9  285.5      97.5  ensemble1
   412   159.0  114.8  137.0      97.3  ensemble1
   413    57.7  120.2  149.6      96.9  ensemble1
   414   330.2   75.4  305.0      96.8  ensemble1
   415    12.7   70.8  285.8      96.8  ensemble1
   416   253.8   64.7  319.4      96.7  ensemble1
   417    46.1  105.1  123.4      96.7  ensemble1
   418   356.9   76.8  297.0      96.4  ensemble1
   419   201.9  108.9  133.1      96.3  ensemble1
   420    59.2  113.1  135.8      96.3  ensemble1
   421   264.4   75.1  305.2      96.3  ensemble1
   422   152.4  121.9  142.2      96.2  ensemble1
   423   294.0   41.6  289.4      96.1  ensemble1
   424   176.2  102.1  121.7      96.1  ensemble1
   425   343.7  133.0  105.6      95.9  ensemble1
   426   312.4  118.5  139.6      95.6  ensemble1
   427   269.2  105.7  123.8      95.5  ensemble1
   428   218.5  107.4  124.7      95.5  ensemble1
   429    46.9  123.4  110.3      95.5  ensemble1
   430   337.8   61.9  282.5      95.4  ensemble1
   431   246.0   73.1  321.4      95.2  ensemble1
   432   316.7  135.4  144.2      95.2  ensemble1
   433   343.5  141.0  117.5      95.0  ensemble1
   434   323.0  117.0  138.6      94.8  ensemble1
   435   183.6   62.5  312.9      94.7  ensemble1
   436   159.9  124.0  143.9      94.6  ensemble1
   437   282.0   76.2  304.6      94.1  ensemble1
   438   275.8  145.1  130.4      93.9  ensemble1
   439    57.0  104.1  122.8      93.7  ensemble1
   440     7.6  142.1  107.7      93.7  ensemble1
   441   343.7   81.0  309.0      93.4  ensemble1
   442   179.6   71.2  292.8      93.0  ensemble1
   443   231.8   61.7  313.3      93.0  ensemble1
   444    46.6   35.6  301.6      92.9  ensemble1
   445   328.0   60.3  314.3      92.8  ensemble1
   446    95.1   39.1  280.2      92.7  ensemble1
   447    58.2   37.8  290.3      92.5  ensemble1
   448   151.5   75.0  298.0      92.4  ensemble1
   449   296.1   39.7  310.0      92.4  ensemble1
   450    19.7   38.1  300.5      92.4  ensemble1
   451    51.3   38.0  290.3      92.3  ensemble1
   452   197.9   74.4  298.3      92.3  ensemble1
   453   318.5   42.6  279.9      92.2  ensemble1
   454   319.3   70.7  300.3      92.1  ensemble1
   455   107.3   67.0  325.8      92.1  ensemble1
   456     6.4  142.4  118.0      91.8  ensemble1
   457   208.9  111.0  134.5      91.7  ensemble1
   458   351.1   58.6  333.0      91.5  ensemble1
   459   130.4   71.0  285.7      91.5  ensemble1
   460   130.5   48.3  323.5      91.4  ensemble1
   461   153.3   64.3  311.7      91.1  ensemble1
   462   341.4  104.8  116.1      91.1  ensemble1
   463   150.9   37.1  300.9      91.0  ensemble1
   464    79.5  110.8  104.7      90.9  ensemble1
   465    54.3  104.2  115.7      90.8  ensemble1
   466   209.8   37.2  300.9      90.8  ensemble1
   467   329.5  118.5  100.8      90.5  ensemble1
   468   334.9  145.5  108.3      90.4  ensemble1
   469    78.8  126.9  111.8      90.2  ensemble1
   470   144.9  141.3  127.9      90.2  ensemble1
   471    39.3  102.6  122.0      90.0  ensemble1
   472   106.1   63.4  281.9      89.8  ensemble1
   473    95.8   60.3  331.5      89.7  ensemble1
   474   177.8  124.6  144.4      89.2  ensemble1
   475   144.2   37.7  300.7      89.1  ensemble1
   476   283.3   41.5  308.8      88.8  ensemble1
   477   256.1   45.1  326.4      88.6  ensemble1
   478   167.4  126.1  145.6      88.5  ensemble1
   479    65.1   37.5  290.4      88.5  ensemble1
   480   241.8   73.5  291.6      88.4  ensemble1
   481   352.8   40.6  299.3      88.4  ensemble1
   482   275.6   68.8  286.7      88.3  ensemble1
   483   355.5   51.2  294.7      88.2  ensemble1
   484    63.1   55.1  277.4      88.0  ensemble1
   485   216.5   36.5  301.2      88.0  ensemble1
   ----- angles below here for deep search only -----
   486   295.8  137.3  146.1      87.8  ensemble1
   487    31.1  142.4  128.6      87.8  ensemble1
   488   201.4   63.6  312.2      87.5  ensemble1
   489    82.8  135.8  144.6      87.4  ensemble1
   490   310.5   77.4  296.6      87.3  ensemble1
   491   296.0  126.9  146.4      87.3  ensemble1
   492     3.5  103.7  115.4      87.2  ensemble1
   493    65.4  103.6  115.4      87.1  ensemble1
   494   224.6  119.2  131.9      87.0  ensemble1
   495   341.0   36.1  301.4      87.0  ensemble1
   496   137.5   38.3  300.4      86.9  ensemble1
   497   276.6   41.9  280.0      86.7  ensemble1
   498   171.0   65.4  311.0      86.6  ensemble1
   499   106.1  125.2  111.1      86.6  ensemble1
   500   237.2   67.0  287.6      86.5  ensemble1
   501   236.3  108.8  125.6      86.3  ensemble1
   502   245.2  102.9  129.5      86.2  ensemble1
   503   258.2  106.7  124.4      86.1  ensemble1
   504   239.8   75.2  320.0      86.1  ensemble1
   505    38.3  106.6  146.9      85.8  ensemble1
   506   341.9   52.5  294.2      85.7  ensemble1
   507   201.1  133.9  142.9      85.7  ensemble1
   508    96.6   75.3  312.4      85.6  ensemble1
   509   219.5  135.3  144.1      85.5  ensemble1
   510    32.8   74.6  291.0      85.5  ensemble1
   511    43.5  136.4  145.3      84.9  ensemble1
   512   193.2  142.0  117.9      84.8  ensemble1
   513   345.8   61.4  313.6      84.8  ensemble1
   514   244.5   47.9  323.8      84.7  ensemble1
   515   209.0  136.3  145.1      84.4  ensemble1
   516   179.1  118.4  148.1      84.4  ensemble1
   517   261.9   64.1  281.6      84.2  ensemble1
   518   223.2   35.9  301.5      84.1  ensemble1
   519   314.8   54.9  293.1      84.0  ensemble1
   520   294.4   56.7  292.3      83.8  ensemble1
   521   278.0  126.3  145.9      83.7  ensemble1
   522   130.7   38.9  300.1      83.6  ensemble1
   523   221.3  113.3  128.2      83.6  ensemble1
   524    59.7  110.0  126.3      83.4  ensemble1
   525   327.2  134.4  143.3      83.3  ensemble1
   526   188.2  128.4  112.4      83.1  ensemble1
   527   126.8   62.8  282.1      83.0  ensemble1
   528     8.8  142.3  128.5      82.9  ensemble1
   529   173.5  107.3  117.4      82.6  ensemble1
   530   192.5   49.7  295.4      82.5  ensemble1
   531    46.2   72.9  291.9      82.3  ensemble1
   532   246.4  106.6  117.0      82.1  ensemble1
   533   348.7   51.8  294.4      81.6  ensemble1
   534   149.3   78.0  325.7      81.6  ensemble1
   535    44.4   38.2  290.2      81.1  ensemble1
   536   292.8   75.4  297.7      81.1  ensemble1
   537   302.5  138.1  136.1      81.0  ensemble1
   538   279.9   61.0  313.8      81.0  ensemble1
   539   337.9  102.6  129.2      80.9  ensemble1
   540   194.7   42.7  308.1      80.9  ensemble1
   541   101.4   58.3  333.3      80.5  ensemble1
   542   239.2  114.7  129.1      80.5  ensemble1
   543    53.3   35.0  301.9      80.2  ensemble1
   544   261.9   75.8  297.5      80.2  ensemble1
   545    28.2   45.8  325.7      80.0  ensemble1
   546    62.0  137.8  146.6      80.0  ensemble1
   547   262.5   38.4  322.0      79.9  ensemble1
   548   249.6  108.3  148.2      79.9  ensemble1
   549   255.2   71.8  292.5      79.9  ensemble1
   550   105.6   78.2  318.0      79.8  ensemble1
   551   213.9   60.6  314.1      79.7  ensemble1
   552   139.7   39.8  320.6      79.5  ensemble1
   553    10.4  131.1  113.5      79.5  ensemble1
   554    21.2  105.9  116.6      79.4  ensemble1
   555   164.7   72.6  299.3      79.4  ensemble1
   556   338.5  127.5  112.1      79.1  ensemble1
   557    72.4  136.8  145.6      78.9  ensemble1
   558   281.0  139.2  137.0      78.9  ensemble1
   559   190.6  134.9  143.8      78.8  ensemble1
   560   144.1   69.8  286.3      78.6  ensemble1
   561   308.9   38.0  311.1      78.5  ensemble1
   562   290.6   42.1  280.0      78.2  ensemble1
   563   296.8  115.5  129.5      77.8  ensemble1
   564   335.2   53.1  293.9      77.3  ensemble1
   565   237.8  113.2  120.6      77.1  ensemble1
   566   284.0  106.2  146.7      77.1  ensemble1
   567   284.5   42.4  318.4      76.7  ensemble1
   568    13.0   38.7  300.2      76.6  ensemble1
   569    46.5  127.2  146.6      76.6  ensemble1
   570   188.6   65.7  303.1      76.0  ensemble1
   571   167.0  104.6  115.9      75.9  ensemble1
   572   188.7  116.4  130.1      75.7  ensemble1
   573   178.9  138.3  136.3      75.7  ensemble1
   574   142.1   45.5  326.1      75.7  ensemble1
   575   321.6   54.3  293.4      75.6  ensemble1
   576   101.2  112.2   98.2      75.3  ensemble1
   577   238.1  138.5  126.2      75.3  ensemble1
   578   215.5  126.8  111.8      75.2  ensemble1
   579   169.1  139.8  127.0      75.0  ensemble1
   580   251.4  104.2  123.0      74.7  ensemble1
   581   166.2   72.9  291.9      74.5  ensemble1
   582   255.0   70.6  285.9      74.5  ensemble1
   583    57.1  139.3  126.7      74.3  ensemble1
   584    26.4   37.5  300.8      74.2  ensemble1
   585   202.9   57.1  276.8      74.1  ensemble1
   586   155.0   39.7  320.8      74.0  ensemble1
   587   138.3  103.0  115.0      73.9  ensemble1
   588     7.1  104.8  145.7      73.8  ensemble1
   589   173.5  119.0  140.0      73.8  ensemble1
   590    28.8   39.0  321.4      73.5  ensemble1
   591   277.4   75.6  297.6      73.5  ensemble1
   592   268.5  105.5  116.4      73.2  ensemble1
   593   299.1   66.6  302.7      72.8  ensemble1
   594   113.3   51.4  294.6      72.8  ensemble1
   595    68.8  129.7  121.4      72.6  ensemble1
   596     2.8   59.9  331.8      72.5  ensemble1
   597   359.5   40.0  299.6      72.4  ensemble1
   598    44.8  114.5  129.0      72.3  ensemble1
   599   165.3  142.1  139.5      72.1  ensemble1
   600    48.5  128.0  120.6      71.8  ensemble1
   601   232.7   50.8  321.3      71.7  ensemble1
   602   124.3   40.0  320.4      71.6  ensemble1
   603     6.2   39.3  299.9      71.6  ensemble1
   604   170.3  140.6  117.3      71.6  ensemble1
   605   155.3   75.7  327.3      71.4  ensemble1
   606   346.6  109.7  149.3      71.4  ensemble1
   607   262.1   59.9  314.6      71.4  ensemble1
   608    53.9  135.5  144.3      70.8  ensemble1
   609   124.0   39.5  299.8      70.6  ensemble1
   610    20.3  143.4  140.7      70.6  ensemble1
   611   187.2   49.1  304.3      70.3  ensemble1
   612   135.8  140.5  138.1      70.3  ensemble1
   613   186.8  141.0  138.5      70.2  ensemble1
   614   161.2   73.4  329.0      70.0  ensemble1
   615   206.6  117.8  131.0      69.9  ensemble1
   616    38.9  125.2  144.9      69.8  ensemble1
   617    93.3  134.8  143.7      69.7  ensemble1
   618   161.7  146.8  119.8      69.5  ensemble1
   619   218.3  106.6  146.9      69.3  ensemble1
   620    52.5  141.7  139.2      69.1  ensemble1
   621   288.4  124.9  144.6      69.1  ensemble1
   622   210.3  123.7  134.9      68.5  ensemble1
   623   119.1   63.0  329.0      67.9  ensemble1
   624   131.4   55.2  293.0      67.9  ensemble1
   625   286.2   72.9  291.9      67.7  ensemble1
   626   248.1   71.2  285.6      67.3  ensemble1
   627   296.6   40.1  320.4      66.0  ensemble1
   628    59.0  119.4  132.0      65.3  ensemble1
   629   182.7  132.6  141.7      65.1  ensemble1
   630   208.2   45.8  325.7      64.9  ensemble1
   631   182.4   74.6  298.2      64.8  ensemble1
   632   192.2  122.3  133.9      64.6  ensemble1
   633    35.5  134.1  143.1      64.5  ensemble1
   634   270.2  139.8  137.5      63.7  ensemble1
   635   287.6   57.3  292.0      63.5  ensemble1
   636   197.6  140.4  138.0      63.1  ensemble1
   637   341.4  127.7  120.4      63.0  ensemble1
   638   332.8   55.1  309.4      63.0  ensemble1
   639   261.9   70.0  286.2      62.7  ensemble1
   640    54.5  129.1  129.8      62.4  ensemble1
   641   253.8   42.8  318.1      62.3  ensemble1
   642   154.6  142.6  140.0      62.2  ensemble1
   643    30.2  119.0  131.8      61.4  ensemble1
   644   232.4  109.3  149.0      61.2  ensemble1
   645    44.6  139.0  136.9      61.1  ensemble1
   646   348.3   54.9  309.5      61.0  ensemble1
   647   103.8  133.8  142.8      60.8  ensemble1
   648   270.4   43.2  307.7      60.8  ensemble1
   649   307.8  144.0  141.3      60.7  ensemble1
   650   133.6   49.6  295.4      60.1  ensemble1
   651   173.2   65.9  303.0      59.8  ensemble1
   652   294.1   50.9  303.3      59.6  ensemble1
   653   268.6   70.1  293.4      58.4  ensemble1
   654   304.5   42.3  279.9      58.4  ensemble1
   655   311.2   53.4  277.8      58.0  ensemble1
   656   229.9   35.3  301.8      57.8  ensemble1
   657   238.4   43.0  317.9      57.2  ensemble1
   658   250.1  125.7   87.9      57.0  ensemble1
   659   207.6   40.9  309.2      56.8  ensemble1
   660   274.3   46.2  325.4      56.7  ensemble1
   661    25.0  135.1  144.0      56.3  ensemble1
   662   324.2  136.9  135.2      56.2  ensemble1
   663   143.2   80.3  324.1      56.1  ensemble1
   664   196.5   48.6  323.2      55.9  ensemble1
   665     1.4   41.5  319.1      55.4  ensemble1
   666   191.4   54.6  309.7      55.0  ensemble1
   667   237.6   54.0  310.0      55.0  ensemble1
   668   322.1   45.5  326.1      55.0  ensemble1
   669   218.5   50.3  303.6      53.3  ensemble1
   670   142.4   53.0  310.7      52.4  ensemble1
   671   145.0   54.0  293.5      52.4  ensemble1
   672   176.0   54.8  309.6      51.9  ensemble1
   673   170.4   39.5  321.0      51.3  ensemble1
   674   223.0   43.2  317.7      51.0  ensemble1
   675   160.3   46.5  325.1      50.9  ensemble1
   676   283.9   53.4  310.4      49.3  ensemble1
   677   145.7   48.5  270.7      49.1  ensemble1
   678   294.6  129.1  121.1      49.0  ensemble1
   679   268.5   53.6  310.3      48.1  ensemble1
   680    12.8   49.3  270.6      47.0  ensemble1
   681   253.1   53.8  310.2      47.0  ensemble1
   682   251.8   40.3  309.6      46.8  ensemble1
   683   159.5   49.5  270.6      46.4  ensemble1
   684   292.4   47.2  324.4      46.1  ensemble1
   685   117.1  138.3  136.3      46.0  ensemble1
   686   118.8   57.8  333.9      45.9  ensemble1
   687   182.7  128.6  120.9      45.8  ensemble1
   688    26.6   50.4  270.5      45.1  ensemble1
   689     4.3  138.0  136.0      44.7  ensemble1
   690   251.0   45.5  270.9      44.7  ensemble1
   691   248.6  140.9  138.4      44.1  ensemble1
   692   226.1   43.8  307.3      43.6  ensemble1
   693   178.1  128.9  129.7      43.3  ensemble1
   694   258.9  134.7  143.6      42.5  ensemble1
   695   239.0   42.1  308.4      41.2  ensemble1
   696   349.2   43.8  317.2      41.1  ensemble1
   697   262.9   49.7  304.0      39.3  ensemble1
   698   356.5   42.5  270.8      38.9  ensemble1
   699   222.2   54.2  309.9      38.7  ensemble1
   700   310.5   48.3  323.5      38.6  ensemble1

      485 trial orientations in initial search
      215 trial orientations in deep search


   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #2 of 3
   0%                                                              100%
   |===============================================================| DONE

   Mean Score (Sigma):       67.30   (20.41)

   SET #2 of 3 TRIAL #1 of 485
   ---------------------------
   Ensemble ensemble1 Euler 273.84 107.99 140.17 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 195.44 (TFZ=3.0) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 35 sites over 67.5% of top
   35 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.103  0.202  0.000     195.44  2.98
   2      0.125  0.802  0.000     195.44  2.97
   3      0.292  0.135  0.000     195.06  2.93
   #Sites = 35: output truncated to 3 sites

   Top 35 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 3 TRIAL #1 of 485
   0%                 100%
   |===================| DONE


   New Top (ML) Translation Function LLG = 151.86 (TFZ=4.1) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 26 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.125  0.802  0.000     151.86  2.97   0.0      2     195.44/    195.44
   2      0.103  0.202  0.000     151.34  2.98  24.1      1     195.44/    195.44
   3      0.292  0.135  0.000     150.93  2.93  16.9      1     195.06/    195.06
   #SITES = 26: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 3 TRIAL #2 of 485
   ---------------------------
   Ensemble ensemble1 Euler 182.74  68.02 325.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.089  0.610  0.000     190.19  3.49
   2      0.156  0.754  0.000     188.44  3.27
   3      0.034  0.265  0.000     187.17  3.11
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 3 TRIAL #2 of 485
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.034  0.265  0.000     147.17  3.11   0.0      1     187.17/    187.17
   2      0.089  0.610  0.000     146.89  3.49  18.8      1     190.19/    190.19
   3      0.156  0.754  0.000     143.61  3.27  25.8      1     188.44/    188.44
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 3 TRIAL #3 of 485
   ---------------------------
   Ensemble ensemble1 Euler 165.26  68.64 324.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.320  0.105  0.000     184.42  3.30

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 3 TRIAL #3 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.320  0.105  0.000     141.83  3.30   0.0      1     184.42/    184.42

   SET #2 of 3 TRIAL #4 of 485
   ---------------------------
   Ensemble ensemble1 Euler 254.74 110.11 141.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.196  0.370  0.000     186.91  3.77
   2      0.174  0.536  0.000     183.46  3.33
   3      0.230  0.381  0.000     183.08  3.28

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 3 TRIAL #4 of 485
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.196  0.370  0.000     141.35  3.77   0.0      1     186.91/    186.91
   2      0.174  0.536  0.000     137.83  3.33  10.5      1     183.46/    183.46
   3      0.230  0.381  0.000     133.71  3.28   1.7      1     183.08/    183.08

   SET #2 of 3 TRIAL #5 of 485
   ---------------------------
   Ensemble ensemble1 Euler 316.47  65.11 327.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #6 of 485
   ---------------------------
   Ensemble ensemble1 Euler 202.99  69.91 286.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #7 of 485
   ---------------------------
   Ensemble ensemble1 Euler 341.91  55.29 326.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #8 of 485
   ---------------------------
   Ensemble ensemble1 Euler  33.84 107.99 140.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #9 of 485
   ---------------------------
   Ensemble ensemble1 Euler  13.08 111.95 142.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #10 of 485
   ----------------------------
   Ensemble ensemble1 Euler  72.78 135.40 106.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.053  0.461  0.000     181.34  3.37

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 3 TRIAL #10 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.053  0.461  0.000     130.90  3.37   0.0      1     181.34/    181.34

   SET #2 of 3 TRIAL #11 of 485
   ----------------------------
   Ensemble ensemble1 Euler  84.09 136.55 106.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #12 of 485
   ----------------------------
   Ensemble ensemble1 Euler  66.42 131.43 105.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #13 of 485
   ----------------------------
   Ensemble ensemble1 Euler  60.05 127.49 103.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #14 of 485
   ----------------------------
   Ensemble ensemble1 Euler 146.94  74.85 320.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #15 of 485
   ----------------------------
   Ensemble ensemble1 Euler 234.11 114.04 144.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #16 of 485
   ----------------------------
   Ensemble ensemble1 Euler 238.93 112.01 105.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #17 of 485
   ----------------------------
   Ensemble ensemble1 Euler 188.69  65.99 326.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #18 of 485
   ----------------------------
   Ensemble ensemble1 Euler 176.72  70.07 323.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #19 of 485
   ----------------------------
   Ensemble ensemble1 Euler 133.08 111.95 142.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #20 of 485
   ----------------------------
   Ensemble ensemble1 Euler 185.93  66.35 280.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #21 of 485
   ----------------------------
   Ensemble ensemble1 Euler  41.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.053  0.762  0.000     179.92  4.18

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 3 TRIAL #21 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.053  0.762  0.000     135.89  4.18   0.0      1     179.92/    179.92

   SET #2 of 3 TRIAL #22 of 485
   ----------------------------
   Ensemble ensemble1 Euler 298.50  71.23 322.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #23 of 485
   ----------------------------
   Ensemble ensemble1 Euler 149.07  76.07 311.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #24 of 485
   ----------------------------
   Ensemble ensemble1 Euler 294.56 108.54 132.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #25 of 485
   ----------------------------
   Ensemble ensemble1 Euler   6.72 109.82 104.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #26 of 485
   ----------------------------
   Ensemble ensemble1 Euler 291.56 102.75 129.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #27 of 485
   ----------------------------
   Ensemble ensemble1 Euler  96.74 114.30 144.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #28 of 485
   ----------------------------
   Ensemble ensemble1 Euler 311.12 136.34 106.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #29 of 485
   ----------------------------
   Ensemble ensemble1 Euler 304.56  69.17 324.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #30 of 485
   ----------------------------
   Ensemble ensemble1 Euler  48.86  70.96 322.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #31 of 485
   ----------------------------
   Ensemble ensemble1 Euler  74.05 142.25 107.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #32 of 485
   ----------------------------
   Ensemble ensemble1 Euler 317.42 140.35 107.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #33 of 485
   ----------------------------
   Ensemble ensemble1 Euler  43.79 129.14 104.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #34 of 485
   ----------------------------
   Ensemble ensemble1 Euler 159.22  70.69 323.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #35 of 485
   ----------------------------
   Ensemble ensemble1 Euler 103.67  41.89 289.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #36 of 485
   ----------------------------
   Ensemble ensemble1 Euler 240.43 116.20  99.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #37 of 485
   ----------------------------
   Ensemble ensemble1 Euler 356.42  53.75 328.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #38 of 485
   ----------------------------
   Ensemble ensemble1 Euler   0.18  45.06 288.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #39 of 485
   ----------------------------
   Ensemble ensemble1 Euler 342.32  40.09 289.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #40 of 485
   ----------------------------
   Ensemble ensemble1 Euler 153.11  72.76 321.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #41 of 485
   ----------------------------
   Ensemble ensemble1 Euler 251.73 117.30 100.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #42 of 485
   ----------------------------
   Ensemble ensemble1 Euler 224.91  57.09 325.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #43 of 485
   ----------------------------
   Ensemble ensemble1 Euler 351.10 117.65 147.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #44 of 485
   ----------------------------
   Ensemble ensemble1 Euler 115.95 111.31 104.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #45 of 485
   ----------------------------
   Ensemble ensemble1 Euler 280.68 104.25 130.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #46 of 485
   ----------------------------
   Ensemble ensemble1 Euler 335.42  40.30 289.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #47 of 485
   ----------------------------
   Ensemble ensemble1 Euler  92.13  69.13 286.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #48 of 485
   ----------------------------
   Ensemble ensemble1 Euler 200.21  67.40 325.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #49 of 485
   ----------------------------
   Ensemble ensemble1 Euler 129.69 110.51 104.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #50 of 485
   ----------------------------
   Ensemble ensemble1 Euler  72.39  68.28 324.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #51 of 485
   ----------------------------
   Ensemble ensemble1 Euler  25.22  73.67 321.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #52 of 485
   ----------------------------
   Ensemble ensemble1 Euler 269.83 105.74 131.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #53 of 485
   ----------------------------
   Ensemble ensemble1 Euler  15.64 111.91 105.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #54 of 485
   ----------------------------
   Ensemble ensemble1 Euler 349.22  39.88 289.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #55 of 485
   ----------------------------
   Ensemble ensemble1 Euler  57.73  64.85 281.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #56 of 485
   ----------------------------
   Ensemble ensemble1 Euler 205.75 135.61 106.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #57 of 485
   ----------------------------
   Ensemble ensemble1 Euler 132.61  74.33 305.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #58 of 485
   ----------------------------
   Ensemble ensemble1 Euler 310.55  67.13 325.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #59 of 485
   ----------------------------
   Ensemble ensemble1 Euler 196.14  70.49 285.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #60 of 485
   ----------------------------
   Ensemble ensemble1 Euler 146.36 116.60 100.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #61 of 485
   ----------------------------
   Ensemble ensemble1 Euler 313.85  70.69 285.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #62 of 485
   ----------------------------
   Ensemble ensemble1 Euler 216.69  68.73 286.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #63 of 485
   ----------------------------
   Ensemble ensemble1 Euler  95.64 123.56 143.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #64 of 485
   ----------------------------
   Ensemble ensemble1 Euler 117.35 110.37 141.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #65 of 485
   ----------------------------
   Ensemble ensemble1 Euler  66.36  70.33 323.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #66 of 485
   ----------------------------
   Ensemble ensemble1 Euler  18.07  49.99 286.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #67 of 485
   ----------------------------
   Ensemble ensemble1 Euler 207.17  38.71 290.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #68 of 485
   ----------------------------
   Ensemble ensemble1 Euler 247.87 114.11 106.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #69 of 485
   ----------------------------
   Ensemble ensemble1 Euler 320.71  70.10 286.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #70 of 485
   ----------------------------
   Ensemble ensemble1 Euler 179.02  66.55 280.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #71 of 485
   ----------------------------
   Ensemble ensemble1 Euler  53.67 123.58 102.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #72 of 485
   ----------------------------
   Ensemble ensemble1 Euler 216.26 110.71 104.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #73 of 485
   ----------------------------
   Ensemble ensemble1 Euler 217.05 136.76 106.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #74 of 485
   ----------------------------
   Ensemble ensemble1 Euler 101.91  55.29 326.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #75 of 485
   ----------------------------
   Ensemble ensemble1 Euler 218.33 112.47 143.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #76 of 485
   ----------------------------
   Ensemble ensemble1 Euler  90.38 140.56 107.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #77 of 485
   ----------------------------
   Ensemble ensemble1 Euler  78.35  66.25 326.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #78 of 485
   ----------------------------
   Ensemble ensemble1 Euler 286.19  75.40 319.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #79 of 485
   ----------------------------
   Ensemble ensemble1 Euler 304.77 132.37 105.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #80 of 485
   ----------------------------
   Ensemble ensemble1 Euler 192.84  66.15 280.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #81 of 485
   ----------------------------
   Ensemble ensemble1 Euler 287.07  69.80 323.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #82 of 485
   ----------------------------
   Ensemble ensemble1 Euler 200.27  38.92 290.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #83 of 485
   ----------------------------
   Ensemble ensemble1 Euler 110.57  41.68 289.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #84 of 485
   ----------------------------
   Ensemble ensemble1 Euler 298.40 128.42 104.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #85 of 485
   ----------------------------
   Ensemble ensemble1 Euler 230.00 109.92 104.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #86 of 485
   ----------------------------
   Ensemble ensemble1 Euler  48.82  65.26 318.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #87 of 485
   ----------------------------
   Ensemble ensemble1 Euler  31.35  71.59 322.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #88 of 485
   ----------------------------
   Ensemble ensemble1 Euler 189.28  71.08 285.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #89 of 485
   ----------------------------
   Ensemble ensemble1 Euler 138.62 112.61 105.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #90 of 485
   ----------------------------
   Ensemble ensemble1 Euler  92.25  63.84 281.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #91 of 485
   ----------------------------
   Ensemble ensemble1 Euler 121.73 107.76 110.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #92 of 485
   ----------------------------
   Ensemble ensemble1 Euler  37.41 125.22 103.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #93 of 485
   ----------------------------
   Ensemble ensemble1 Euler 207.01 142.46 107.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #94 of 485
   ----------------------------
   Ensemble ensemble1 Euler 335.96  62.33 321.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #95 of 485
   ----------------------------
   Ensemble ensemble1 Euler  87.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #96 of 485
   ----------------------------
   Ensemble ensemble1 Euler 161.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #97 of 485
   ----------------------------
   Ensemble ensemble1 Euler 148.84 113.52 144.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #98 of 485
   ----------------------------
   Ensemble ensemble1 Euler 102.21 112.11 105.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #99 of 485
   ----------------------------
   Ensemble ensemble1 Euler  37.42  69.53 323.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #100 of 485
   -----------------------------
   Ensemble ensemble1 Euler 342.27 126.76 146.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #101 of 485
   -----------------------------
   Ensemble ensemble1 Euler 328.52  40.51 289.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #102 of 485
   -----------------------------
   Ensemble ensemble1 Euler 320.83  37.99 300.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #103 of 485
   -----------------------------
   Ensemble ensemble1 Euler  74.86 126.41 145.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #104 of 485
   -----------------------------
   Ensemble ensemble1 Euler 183.12 133.31 105.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #105 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.67 124.72 144.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #106 of 485
   -----------------------------
   Ensemble ensemble1 Euler  85.28  69.71 286.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #107 of 485
   -----------------------------
   Ensemble ensemble1 Euler 209.84  69.32 286.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #108 of 485
   -----------------------------
   Ensemble ensemble1 Euler 207.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #109 of 485
   -----------------------------
   Ensemble ensemble1 Euler 308.87 105.00 123.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #110 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #111 of 485
   -----------------------------
   Ensemble ensemble1 Euler  40.20 138.76 107.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #112 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.34 140.77 107.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #113 of 485
   -----------------------------
   Ensemble ensemble1 Euler  54.91  68.91 324.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #114 of 485
   -----------------------------
   Ensemble ensemble1 Euler  99.37 107.67 110.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #115 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.29 117.00 100.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #116 of 485
   -----------------------------
   Ensemble ensemble1 Euler 263.04 118.40 100.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #117 of 485
   -----------------------------
   Ensemble ensemble1 Euler 194.44 134.46 106.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #118 of 485
   -----------------------------
   Ensemble ensemble1 Euler 121.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #119 of 485
   -----------------------------
   Ensemble ensemble1 Euler 126.65  71.99 314.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #120 of 485
   -----------------------------
   Ensemble ensemble1 Euler 199.74  65.95 280.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #121 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.43  44.53 288.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #122 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.74 125.88 145.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #123 of 485
   -----------------------------
   Ensemble ensemble1 Euler 221.40 127.90 147.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #124 of 485
   -----------------------------
   Ensemble ensemble1 Euler 237.66 119.50 140.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #125 of 485
   -----------------------------
   Ensemble ensemble1 Euler 214.07  38.50 290.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #126 of 485
   -----------------------------
   Ensemble ensemble1 Euler 172.12  66.75 280.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #127 of 485
   -----------------------------
   Ensemble ensemble1 Euler 239.49  55.54 326.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #128 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.44  51.06 278.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #129 of 485
   -----------------------------
   Ensemble ensemble1 Euler 239.65 139.08 107.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #130 of 485
   -----------------------------
   Ensemble ensemble1 Euler  26.63  74.16 313.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #131 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.42  70.30 286.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #132 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.41 104.24 137.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #133 of 485
   -----------------------------
   Ensemble ensemble1 Euler 203.07  37.79 300.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #134 of 485
   -----------------------------
   Ensemble ensemble1 Euler  18.49  74.70 305.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #135 of 485
   -----------------------------
   Ensemble ensemble1 Euler 136.04  75.16 297.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #136 of 485
   -----------------------------
   Ensemble ensemble1 Euler 321.62  40.73 289.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #137 of 485
   -----------------------------
   Ensemble ensemble1 Euler  20.88  44.43 288.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #138 of 485
   -----------------------------
   Ensemble ensemble1 Euler  24.59 114.01 106.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #139 of 485
   -----------------------------
   Ensemble ensemble1 Euler 119.85 117.13 138.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #140 of 485
   -----------------------------
   Ensemble ensemble1 Euler 284.65 115.08 145.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #141 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.47 106.61 109.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #142 of 485
   -----------------------------
   Ensemble ensemble1 Euler 335.21 116.11 146.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #143 of 485
   -----------------------------
   Ensemble ensemble1 Euler 301.62  74.71 312.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #144 of 485
   -----------------------------
   Ensemble ensemble1 Euler 227.87  38.07 290.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #145 of 485
   -----------------------------
   Ensemble ensemble1 Euler 322.31  63.11 328.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #146 of 485
   -----------------------------
   Ensemble ensemble1 Euler  41.34 112.44 135.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #147 of 485
   -----------------------------
   Ensemble ensemble1 Euler  98.98  68.54 286.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #148 of 485
   -----------------------------
   Ensemble ensemble1 Euler 228.33  75.21 290.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #149 of 485
   -----------------------------
   Ensemble ensemble1 Euler 140.09  45.33 279.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #150 of 485
   -----------------------------
   Ensemble ensemble1 Euler 261.60 113.31 105.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #151 of 485
   -----------------------------
   Ensemble ensemble1 Euler 176.75 129.35 104.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #152 of 485
   -----------------------------
   Ensemble ensemble1 Euler 109.69 119.43 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #153 of 485
   -----------------------------
   Ensemble ensemble1 Euler 117.47  41.47 289.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #154 of 485
   -----------------------------
   Ensemble ensemble1 Euler 220.75  41.06 280.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #155 of 485
   -----------------------------
   Ensemble ensemble1 Euler  49.32 128.43  96.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #156 of 485
   -----------------------------
   Ensemble ensemble1 Euler  82.54 128.42 147.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #157 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.71  63.74 281.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #158 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.38 114.56 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #159 of 485
   -----------------------------
   Ensemble ensemble1 Euler 339.52  67.93 325.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #160 of 485
   -----------------------------
   Ensemble ensemble1 Euler 333.72 138.66 107.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #161 of 485
   -----------------------------
   Ensemble ensemble1 Euler 255.55 120.14 140.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #162 of 485
   -----------------------------
   Ensemble ensemble1 Euler   7.08  44.85 288.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #163 of 485
   -----------------------------
   Ensemble ensemble1 Euler  74.79 105.47 123.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #164 of 485
   -----------------------------
   Ensemble ensemble1 Euler 135.59  73.40 321.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #165 of 485
   -----------------------------
   Ensemble ensemble1 Euler   4.12  70.10 315.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #166 of 485
   -----------------------------
   Ensemble ensemble1 Euler  64.63  64.65 281.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #167 of 485
   -----------------------------
   Ensemble ensemble1 Euler 237.90  46.82 279.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #168 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.02  75.76 319.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #169 of 485
   -----------------------------
   Ensemble ensemble1 Euler 211.69  68.82 324.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #170 of 485
   -----------------------------
   Ensemble ensemble1 Euler 206.69 105.59 116.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #171 of 485
   -----------------------------
   Ensemble ensemble1 Euler 106.58 141.78 117.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #172 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.00  71.27 285.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #173 of 485
   -----------------------------
   Ensemble ensemble1 Euler  70.64 102.19 129.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #174 of 485
   -----------------------------
   Ensemble ensemble1 Euler 220.97  38.28 290.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #175 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.29  74.08 291.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #176 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.10  38.61 300.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #177 of 485
   -----------------------------
   Ensemble ensemble1 Euler 105.82  67.95 287.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #178 of 485
   -----------------------------
   Ensemble ensemble1 Euler  36.00 118.60 100.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #179 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.67  66.78 326.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #180 of 485
   -----------------------------
   Ensemble ensemble1 Euler  50.82  65.05 281.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #181 of 485
   -----------------------------
   Ensemble ensemble1 Euler 165.80 130.12  96.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #182 of 485
   -----------------------------
   Ensemble ensemble1 Euler 187.97 104.62 130.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #183 of 485
   -----------------------------
   Ensemble ensemble1 Euler 117.98 140.03 107.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #184 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.17 122.67 142.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #185 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.07 110.95 134.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #186 of 485
   -----------------------------
   Ensemble ensemble1 Euler 234.78  37.86 290.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #187 of 485
   -----------------------------
   Ensemble ensemble1 Euler 346.43  42.98 279.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #188 of 485
   -----------------------------
   Ensemble ensemble1 Euler  96.77  42.10 289.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #189 of 485
   -----------------------------
   Ensemble ensemble1 Euler 182.42  71.66 285.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #190 of 485
   -----------------------------
   Ensemble ensemble1 Euler  49.51 109.58 141.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #191 of 485
   -----------------------------
   Ensemble ensemble1 Euler 124.37  41.26 289.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #192 of 485
   -----------------------------
   Ensemble ensemble1 Euler  20.30 106.02 131.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #193 of 485
   -----------------------------
   Ensemble ensemble1 Euler 179.57  39.56 289.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #194 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.13 115.10  99.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #195 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.97 110.61 104.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #196 of 485
   -----------------------------
   Ensemble ensemble1 Euler 319.32 105.97 116.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #197 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.73 120.22 101.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #198 of 485
   -----------------------------
   Ensemble ensemble1 Euler 120.19 140.94 117.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #199 of 485
   -----------------------------
   Ensemble ensemble1 Euler 230.39  67.56 287.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #200 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #201 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.98  77.71 310.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #202 of 485
   -----------------------------
   Ensemble ensemble1 Euler  64.54 127.81 147.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #203 of 485
   -----------------------------
   Ensemble ensemble1 Euler 231.00  76.19 297.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #204 of 485
   -----------------------------
   Ensemble ensemble1 Euler 170.37 125.43 103.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #205 of 485
   -----------------------------
   Ensemble ensemble1 Euler 200.36  61.99 329.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #206 of 485
   -----------------------------
   Ensemble ensemble1 Euler 348.10  67.75 287.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #207 of 485
   -----------------------------
   Ensemble ensemble1 Euler  96.57 144.58 108.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #208 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.07  76.07 311.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #209 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.14  71.85 285.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #210 of 485
   -----------------------------
   Ensemble ensemble1 Euler 321.72 129.55 148.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #211 of 485
   -----------------------------
   Ensemble ensemble1 Euler 103.18 125.61 145.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #212 of 485
   -----------------------------
   Ensemble ensemble1 Euler 325.49 112.21 105.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #213 of 485
   -----------------------------
   Ensemble ensemble1 Euler 339.73  62.50 329.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #214 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.71  72.37 292.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #215 of 485
   -----------------------------
   Ensemble ensemble1 Euler 171.42  51.27 278.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #216 of 485
   -----------------------------
   Ensemble ensemble1 Euler 347.60 107.19 110.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #217 of 485
   -----------------------------
   Ensemble ensemble1 Euler 193.96 103.49 122.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #218 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.16 143.06 118.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #219 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.26  68.34 286.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #220 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.14  71.18 315.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #221 of 485
   -----------------------------
   Ensemble ensemble1 Euler 113.01 105.65 131.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #222 of 485
   -----------------------------
   Ensemble ensemble1 Euler 147.74 123.17 102.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #223 of 485
   -----------------------------
   Ensemble ensemble1 Euler 251.88  47.04 279.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #224 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.74 105.03 116.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #225 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.53 136.87 106.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #226 of 485
   -----------------------------
   Ensemble ensemble1 Euler 203.40 127.29 146.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #227 of 485
   -----------------------------
   Ensemble ensemble1 Euler 199.38 114.56 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #228 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.42  53.75 328.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #229 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.54  68.15 287.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #230 of 485
   -----------------------------
   Ensemble ensemble1 Euler 310.40 105.58 138.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #231 of 485
   -----------------------------
   Ensemble ensemble1 Euler 111.68 136.03 106.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #232 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.13  54.43 277.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #233 of 485
   -----------------------------
   Ensemble ensemble1 Euler  27.78  44.21 288.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #234 of 485
   -----------------------------
   Ensemble ensemble1 Euler  71.57  70.88 285.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #235 of 485
   -----------------------------
   Ensemble ensemble1 Euler 177.13 106.11 131.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #236 of 485
   -----------------------------
   Ensemble ensemble1 Euler 289.51  63.34 281.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #237 of 485
   -----------------------------
   Ensemble ensemble1 Euler 200.14 102.87 114.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #238 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.77 106.30 131.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #239 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.56  37.37 300.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #240 of 485
   -----------------------------
   Ensemble ensemble1 Euler  71.54  64.45 281.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #241 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.73 124.10 143.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #242 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.56  69.52 286.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #243 of 485
   -----------------------------
   Ensemble ensemble1 Euler 249.14  73.89 313.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #244 of 485
   -----------------------------
   Ensemble ensemble1 Euler 189.07 103.43 115.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #245 of 485
   -----------------------------
   Ensemble ensemble1 Euler 243.28 141.68 117.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #246 of 485
   -----------------------------
   Ensemble ensemble1 Euler 152.48 103.31 129.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #247 of 485
   -----------------------------
   Ensemble ensemble1 Euler  28.91 137.61 106.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #248 of 485
   -----------------------------
   Ensemble ensemble1 Euler 141.14 114.19 136.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #249 of 485
   -----------------------------
   Ensemble ensemble1 Euler  35.94  54.87 285.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #250 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.37  39.23 299.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #251 of 485
   -----------------------------
   Ensemble ensemble1 Euler  31.15 104.53 130.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #252 of 485
   -----------------------------
   Ensemble ensemble1 Euler 297.97 114.28 136.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #253 of 485
   -----------------------------
   Ensemble ensemble1 Euler  38.32 113.21 105.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #254 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.49  52.90 285.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #255 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.39 122.25 102.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #256 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.56 143.90 118.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #257 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.58  64.76 327.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #258 of 485
   -----------------------------
   Ensemble ensemble1 Euler  12.77  77.86 318.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #259 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.14 115.29 137.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #260 of 485
   -----------------------------
   Ensemble ensemble1 Euler 347.87  76.56 304.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #261 of 485
   -----------------------------
   Ensemble ensemble1 Euler 196.35  38.41 300.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #262 of 485
   -----------------------------
   Ensemble ensemble1 Euler 292.02 124.50 103.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #263 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.44 114.31 106.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #264 of 485
   -----------------------------
   Ensemble ensemble1 Euler  89.87  42.31 289.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #265 of 485
   -----------------------------
   Ensemble ensemble1 Euler 161.29  61.82 282.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #266 of 485
   -----------------------------
   Ensemble ensemble1 Euler  84.24  64.24 328.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #267 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.14 130.08 104.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #268 of 485
   -----------------------------
   Ensemble ensemble1 Euler  85.78 104.43 123.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #269 of 485
   -----------------------------
   Ensemble ensemble1 Euler 267.24 138.55 107.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #270 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.08 105.09 130.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #271 of 485
   -----------------------------
   Ensemble ensemble1 Euler 312.34 109.19 133.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #272 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.71  72.14 285.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #273 of 485
   -----------------------------
   Ensemble ensemble1 Euler 268.80  63.95 281.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #274 of 485
   -----------------------------
   Ensemble ensemble1 Euler 265.85  47.25 279.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #275 of 485
   -----------------------------
   Ensemble ensemble1 Euler  82.97  42.53 289.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #276 of 485
   -----------------------------
   Ensemble ensemble1 Euler  98.58 101.94 114.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #277 of 485
   -----------------------------
   Ensemble ensemble1 Euler 204.96 102.46 121.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #278 of 485
   -----------------------------
   Ensemble ensemble1 Euler 348.33  75.21 290.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #279 of 485
   -----------------------------
   Ensemble ensemble1 Euler 191.11 106.51 109.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #280 of 485
   -----------------------------
   Ensemble ensemble1 Euler 355.56 121.86 142.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #281 of 485
   -----------------------------
   Ensemble ensemble1 Euler 322.92 108.63 110.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #282 of 485
   -----------------------------
   Ensemble ensemble1 Euler 270.82 128.93 104.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #283 of 485
   -----------------------------
   Ensemble ensemble1 Euler 305.21 111.16 142.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #284 of 485
   -----------------------------
   Ensemble ensemble1 Euler 171.07  35.20 301.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #285 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.44  64.25 281.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #286 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.14 126.87 103.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #287 of 485
   -----------------------------
   Ensemble ensemble1 Euler 250.94 140.24 107.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #288 of 485
   -----------------------------
   Ensemble ensemble1 Euler 181.62  74.71 312.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #289 of 485
   -----------------------------
   Ensemble ensemble1 Euler 182.88  39.64 299.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #290 of 485
   -----------------------------
   Ensemble ensemble1 Euler  14.01  54.01 327.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #291 of 485
   -----------------------------
   Ensemble ensemble1 Euler 276.90 134.38  97.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #292 of 485
   -----------------------------
   Ensemble ensemble1 Euler  10.15  74.50 298.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #293 of 485
   -----------------------------
   Ensemble ensemble1 Euler 194.89 106.77 131.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #294 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.48 122.49 142.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #295 of 485
   -----------------------------
   Ensemble ensemble1 Euler 224.35 107.76 117.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #296 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.28  36.75 301.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #297 of 485
   -----------------------------
   Ensemble ensemble1 Euler  26.42  69.61 286.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #298 of 485
   -----------------------------
   Ensemble ensemble1 Euler  56.89 125.79 145.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #299 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.83  70.24 308.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #300 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.72  40.94 289.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #301 of 485
   -----------------------------
   Ensemble ensemble1 Euler 195.78 125.26 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #302 of 485
   -----------------------------
   Ensemble ensemble1 Euler 138.17  40.83 289.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #303 of 485
   -----------------------------
   Ensemble ensemble1 Euler 166.21 113.26 143.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #304 of 485
   -----------------------------
   Ensemble ensemble1 Euler 358.55  61.32 282.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #305 of 485
   -----------------------------
   Ensemble ensemble1 Euler 107.35 110.69 119.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #306 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.64  39.85 299.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #307 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.67 142.53 118.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #308 of 485
   -----------------------------
   Ensemble ensemble1 Euler 159.05 124.30 102.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #309 of 485
   -----------------------------
   Ensemble ensemble1 Euler 190.53  44.74 288.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #310 of 485
   -----------------------------
   Ensemble ensemble1 Euler 287.12  41.78 289.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #311 of 485
   -----------------------------
   Ensemble ensemble1 Euler 163.19  72.47 306.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #312 of 485
   -----------------------------
   Ensemble ensemble1 Euler  22.57 133.62 105.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #313 of 485
   -----------------------------
   Ensemble ensemble1 Euler 317.34  99.98 113.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #314 of 485
   -----------------------------
   Ensemble ensemble1 Euler  99.16  63.64 281.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #315 of 485
   -----------------------------
   Ensemble ensemble1 Euler 315.01 119.93 149.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #316 of 485
   -----------------------------
   Ensemble ensemble1 Euler  42.30  43.84 279.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #317 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.71  48.21 287.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #318 of 485
   -----------------------------
   Ensemble ensemble1 Euler 134.28 138.34 106.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #319 of 485
   -----------------------------
   Ensemble ensemble1 Euler 258.13  68.99 324.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #320 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.08  72.84 306.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #321 of 485
   -----------------------------
   Ensemble ensemble1 Euler 274.59  53.11 285.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #322 of 485
   -----------------------------
   Ensemble ensemble1 Euler 189.62  39.02 300.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #323 of 485
   -----------------------------
   Ensemble ensemble1 Euler 169.65 113.36 136.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #324 of 485
   -----------------------------
   Ensemble ensemble1 Euler  33.29 136.08  97.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #325 of 485
   -----------------------------
   Ensemble ensemble1 Euler  73.53 117.31 138.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #326 of 485
   -----------------------------
   Ensemble ensemble1 Euler 143.07 142.31 118.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #327 of 485
   -----------------------------
   Ensemble ensemble1 Euler 150.57 136.66 106.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #328 of 485
   -----------------------------
   Ensemble ensemble1 Euler 187.27 101.05 121.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #329 of 485
   -----------------------------
   Ensemble ensemble1 Euler 286.19 107.66 117.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #330 of 485
   -----------------------------
   Ensemble ensemble1 Euler 185.42 126.67 146.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #331 of 485
   -----------------------------
   Ensemble ensemble1 Euler 140.53 142.36 107.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #332 of 485
   -----------------------------
   Ensemble ensemble1 Euler 246.46  76.00 297.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #333 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.92  41.36 289.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #334 of 485
   -----------------------------
   Ensemble ensemble1 Euler 174.28 100.32 127.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #335 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.50  77.43 311.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #336 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.33  74.22 298.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #337 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.65  61.52 282.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #338 of 485
   -----------------------------
   Ensemble ensemble1 Euler 306.24 136.36 145.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #339 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.32 138.13 106.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #340 of 485
   -----------------------------
   Ensemble ensemble1 Euler  73.41  33.13 302.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #341 of 485
   -----------------------------
   Ensemble ensemble1 Euler  43.91  65.25 281.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #342 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.76 143.27 118.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #343 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.37 105.40 116.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #344 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.64  36.44 301.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #345 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.26 104.99 130.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #346 of 485
   -----------------------------
   Ensemble ensemble1 Euler 154.39  62.03 282.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #347 of 485
   -----------------------------
   Ensemble ensemble1 Euler 207.52 108.39 125.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #348 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.41  77.04 296.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #349 of 485
   -----------------------------
   Ensemble ensemble1 Euler  87.51 102.50 114.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #350 of 485
   -----------------------------
   Ensemble ensemble1 Euler 236.50  77.43 311.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #351 of 485
   -----------------------------
   Ensemble ensemble1 Euler  66.71  33.75 302.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #352 of 485
   -----------------------------
   Ensemble ensemble1 Euler 141.61 104.81 130.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #353 of 485
   -----------------------------
   Ensemble ensemble1 Euler 284.29 114.62 106.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #354 of 485
   -----------------------------
   Ensemble ensemble1 Euler 188.92  56.93 276.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #355 of 485
   -----------------------------
   Ensemble ensemble1 Euler 123.16  77.59 318.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #356 of 485
   -----------------------------
   Ensemble ensemble1 Euler 151.97  40.41 289.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #357 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.81 141.76 128.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #358 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.06 107.59 147.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #359 of 485
   -----------------------------
   Ensemble ensemble1 Euler 202.51 111.51 105.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #360 of 485
   -----------------------------
   Ensemble ensemble1 Euler 216.12  75.81 304.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #361 of 485
   -----------------------------
   Ensemble ensemble1 Euler 349.98 128.77 148.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #362 of 485
   -----------------------------
   Ensemble ensemble1 Euler 249.81  48.42 287.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #363 of 485
   -----------------------------
   Ensemble ensemble1 Euler  15.66 144.65 118.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #364 of 485
   -----------------------------
   Ensemble ensemble1 Euler 280.14 104.62 123.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #365 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.61  63.54 281.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #366 of 485
   -----------------------------
   Ensemble ensemble1 Euler 354.09  75.52 312.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #367 of 485
   -----------------------------
   Ensemble ensemble1 Euler 172.67  39.77 289.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #368 of 485
   -----------------------------
   Ensemble ensemble1 Euler 145.07  40.62 289.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #369 of 485
   -----------------------------
   Ensemble ensemble1 Euler 254.01  54.01 327.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #370 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.07  71.05 322.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #371 of 485
   -----------------------------
   Ensemble ensemble1 Euler 302.19  52.28 286.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #372 of 485
   -----------------------------
   Ensemble ensemble1 Euler 345.01 139.82 107.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #373 of 485
   -----------------------------
   Ensemble ensemble1 Euler   5.47  77.67 303.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #374 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.42  42.42 289.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #375 of 485
   -----------------------------
   Ensemble ensemble1 Euler 290.63 117.90 100.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #376 of 485
   -----------------------------
   Ensemble ensemble1 Euler 295.29  52.49 286.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #377 of 485
   -----------------------------
   Ensemble ensemble1 Euler  63.54  54.04 285.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #378 of 485
   -----------------------------
   Ensemble ensemble1 Euler 276.19  36.58 290.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #379 of 485
   -----------------------------
   Ensemble ensemble1 Euler 290.14  69.13 308.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #380 of 485
   -----------------------------
   Ensemble ensemble1 Euler  66.89 109.31 141.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #381 of 485
   -----------------------------
   Ensemble ensemble1 Euler 133.81 140.09 117.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #382 of 485
   -----------------------------
   Ensemble ensemble1 Euler 332.46  42.77 279.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #383 of 485
   -----------------------------
   Ensemble ensemble1 Euler 325.56 144.97 119.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #384 of 485
   -----------------------------
   Ensemble ensemble1 Euler 358.50 124.60 103.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #385 of 485
   -----------------------------
   Ensemble ensemble1 Euler 186.89 109.31 141.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #386 of 485
   -----------------------------
   Ensemble ensemble1 Euler 164.35  35.82 301.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #387 of 485
   -----------------------------
   Ensemble ensemble1 Euler 354.95  67.16 287.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #388 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.40  68.24 287.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #389 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.79  66.57 287.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #390 of 485
   -----------------------------
   Ensemble ensemble1 Euler  76.07  42.74 289.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #391 of 485
   -----------------------------
   Ensemble ensemble1 Euler 224.61 128.97 112.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #392 of 485
   -----------------------------
   Ensemble ensemble1 Euler  25.61  74.31 298.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #393 of 485
   -----------------------------
   Ensemble ensemble1 Euler   2.54 105.37 130.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #394 of 485
   -----------------------------
   Ensemble ensemble1 Euler 251.34  78.04 303.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #395 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.34 106.04 109.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #396 of 485
   -----------------------------
   Ensemble ensemble1 Euler 303.69 128.95 148.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #397 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.40 103.87 130.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #398 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.80 107.25 147.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #399 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.26  52.96 277.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #400 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.84 114.00  98.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #401 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #402 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.71 106.86 131.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #403 of 485
   -----------------------------
   Ensemble ensemble1 Euler 165.77  39.98 289.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #404 of 485
   -----------------------------
   Ensemble ensemble1 Euler  33.27  69.03 286.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #405 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.34 112.51 105.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #406 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.06 112.41 105.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #407 of 485
   -----------------------------
   Ensemble ensemble1 Euler  39.88  36.23 301.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #408 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.47  76.40 319.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #409 of 485
   -----------------------------
   Ensemble ensemble1 Euler  43.27 104.75 116.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #410 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.57 110.11 104.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #411 of 485
   -----------------------------
   Ensemble ensemble1 Euler 246.99  53.94 285.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #412 of 485
   -----------------------------
   Ensemble ensemble1 Euler 158.97 114.83 137.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #413 of 485
   -----------------------------
   Ensemble ensemble1 Euler  57.67 120.19 149.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #414 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.24  75.44 304.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #415 of 485
   -----------------------------
   Ensemble ensemble1 Euler  12.71  70.78 285.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #416 of 485
   -----------------------------
   Ensemble ensemble1 Euler 253.76  64.73 319.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #417 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.05 105.09 123.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #418 of 485
   -----------------------------
   Ensemble ensemble1 Euler 356.88  76.85 296.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #419 of 485
   -----------------------------
   Ensemble ensemble1 Euler 201.86 108.91 133.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #420 of 485
   -----------------------------
   Ensemble ensemble1 Euler  59.16 113.08 135.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #421 of 485
   -----------------------------
   Ensemble ensemble1 Euler 264.37  75.07 305.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #422 of 485
   -----------------------------
   Ensemble ensemble1 Euler 152.41 121.95 142.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #423 of 485
   -----------------------------
   Ensemble ensemble1 Euler 294.02  41.57 289.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #424 of 485
   -----------------------------
   Ensemble ensemble1 Euler 176.24 102.08 121.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #425 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.67 132.99 105.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #426 of 485
   -----------------------------
   Ensemble ensemble1 Euler 312.42 118.50 139.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #427 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.15 105.66 123.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #428 of 485
   -----------------------------
   Ensemble ensemble1 Euler 218.47 107.35 124.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #429 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.94 123.38 110.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #430 of 485
   -----------------------------
   Ensemble ensemble1 Euler 337.84  61.93 282.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #431 of 485
   -----------------------------
   Ensemble ensemble1 Euler 245.95  73.13 321.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #432 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.70 135.37 144.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #433 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.49 141.04 117.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #434 of 485
   -----------------------------
   Ensemble ensemble1 Euler 323.02 117.04 138.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #435 of 485
   -----------------------------
   Ensemble ensemble1 Euler 183.64  62.46 312.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #436 of 485
   -----------------------------
   Ensemble ensemble1 Euler 159.88 124.01 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #437 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.99  76.18 304.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #438 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.77 145.06 130.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #439 of 485
   -----------------------------
   Ensemble ensemble1 Euler  57.05 104.06 122.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #440 of 485
   -----------------------------
   Ensemble ensemble1 Euler   7.57 142.14 107.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #441 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.71  80.99 308.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #442 of 485
   -----------------------------
   Ensemble ensemble1 Euler 179.64  71.23 292.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #443 of 485
   -----------------------------
   Ensemble ensemble1 Euler 231.77  61.73 313.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #444 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.59  35.61 301.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #445 of 485
   -----------------------------
   Ensemble ensemble1 Euler 328.00  60.25 314.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #446 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.12  39.13 280.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #447 of 485
   -----------------------------
   Ensemble ensemble1 Euler  58.23  37.75 290.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #448 of 485
   -----------------------------
   Ensemble ensemble1 Euler 151.50  74.97 297.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #449 of 485
   -----------------------------
   Ensemble ensemble1 Euler 296.11  39.72 309.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #450 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.71  38.10 300.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #451 of 485
   -----------------------------
   Ensemble ensemble1 Euler  51.32  37.96 290.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #452 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.88  74.41 298.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #453 of 485
   -----------------------------
   Ensemble ensemble1 Euler 318.50  42.56 279.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #454 of 485
   -----------------------------
   Ensemble ensemble1 Euler 319.27  70.72 300.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #455 of 485
   -----------------------------
   Ensemble ensemble1 Euler 107.33  67.04 325.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #456 of 485
   -----------------------------
   Ensemble ensemble1 Euler   6.37 142.42 118.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #457 of 485
   -----------------------------
   Ensemble ensemble1 Euler 208.90 111.05 134.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #458 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.11  58.60 333.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #459 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.43  70.98 285.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #460 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.52  48.29 323.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #461 of 485
   -----------------------------
   Ensemble ensemble1 Euler 153.28  64.31 311.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #462 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.43 104.84 116.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #463 of 485
   -----------------------------
   Ensemble ensemble1 Euler 150.92  37.06 300.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #464 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.54 110.81 104.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #465 of 485
   -----------------------------
   Ensemble ensemble1 Euler  54.33 104.18 115.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #466 of 485
   -----------------------------
   Ensemble ensemble1 Euler 209.80  37.16 300.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #467 of 485
   -----------------------------
   Ensemble ensemble1 Euler 329.52 118.50 100.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #468 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.86 145.54 108.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #469 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.79 126.89 111.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #470 of 485
   -----------------------------
   Ensemble ensemble1 Euler 144.87 141.26 127.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #471 of 485
   -----------------------------
   Ensemble ensemble1 Euler  39.33 102.65 122.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #472 of 485
   -----------------------------
   Ensemble ensemble1 Euler 106.06  63.44 281.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #473 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.77  60.28 331.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #474 of 485
   -----------------------------
   Ensemble ensemble1 Euler 177.82 124.63 144.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #475 of 485
   -----------------------------
   Ensemble ensemble1 Euler 144.19  37.68 300.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #476 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.30  41.48 308.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #477 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.09  45.12 326.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #478 of 485
   -----------------------------
   Ensemble ensemble1 Euler 167.44 126.05 145.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #479 of 485
   -----------------------------
   Ensemble ensemble1 Euler  65.13  37.54 290.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #480 of 485
   -----------------------------
   Ensemble ensemble1 Euler 241.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #481 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.77  40.57 299.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #482 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.55  68.83 286.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #483 of 485
   -----------------------------
   Ensemble ensemble1 Euler 355.52  51.23 294.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #484 of 485
   -----------------------------
   Ensemble ensemble1 Euler  63.08  55.05 277.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #485 of 485
   -----------------------------
   Ensemble ensemble1 Euler 216.52  36.54 301.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 195.44 (TFZ=3.0)
   Current Top (ML) Translation Function LLG = 151.86 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------
TRANSLATION FUNCTION #3 OF 3
----------------------------

   Space Group: P 3

   SOLU SET 
   SOLU SPAC P 3
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.836  107.986  140.172 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.737   68.016  325.051 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.259   68.638  324.584 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.736  110.106  141.648 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.471   65.108  327.320 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.993   69.907  286.211 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.914   55.286  326.811 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.836  107.986  140.172 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.079  111.949  142.975 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.781  135.400  106.250 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.087  136.554  106.537 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.424  131.428  105.175 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.046  127.487  103.981 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.942   74.849  320.199 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.109  114.039  144.538 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.925  112.007  105.294 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.689   65.985  326.620 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.715   70.066  323.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.079  111.949  142.975 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.929   66.350  280.643 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.652   72.534  314.144 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.500   71.232  322.695 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.068   76.070  311.939 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.560  108.537  132.902 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.721  109.816  104.244 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.559  102.751  129.357 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.743  114.299  144.737 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.123  136.344  106.486 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.559   69.173  324.187 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.859   70.962  322.888 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.053  142.250  107.762 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.417  140.347  107.390 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.785  129.142  104.498 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.217   70.693  323.080 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.667   41.890  289.280 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.431  116.195   99.876 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.423   53.754  328.197 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.184   45.058  288.386 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.316   40.089  289.757 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.110   72.764  321.620 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.733  117.297  100.323 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.913   57.091  325.254 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.096  117.650  147.411 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  115.948  111.309  104.962 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.684  104.247  130.258 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.416   40.301  289.702 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.128   69.126  286.592 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.208   67.396  325.523 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  129.692  110.512  104.580 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.390   68.283  324.850 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.218   73.669  320.998 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.834  105.741  131.167 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.643  111.907  105.247 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.216   39.877  289.812 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.727   64.849  281.294 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.746  135.609  106.303 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  132.608   74.327  305.629 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.551   67.131  325.727 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.139   70.492  285.923 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.359  116.595  100.039 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.854   70.687  285.827 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.694   68.735  286.782 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.640  123.562  143.518 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.354  110.370  141.835 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.360   70.334  323.339 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.071   49.987  286.862 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.170   38.708  290.106 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  247.874  114.113  106.277 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.709   70.102  286.115 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.022   66.549  280.555 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.670  123.581  102.677 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.256  110.711  104.676 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.052  136.764  106.588 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.914   55.286  326.811 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.330  112.473  143.361 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.378  140.558  107.433 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.351   66.249  326.412 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.192   75.395  319.835 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.774  132.366  105.441 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.836   66.150  280.731 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.070   69.798  323.728 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.269   38.921  290.054 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.567   41.679  289.338 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.399  128.417  104.274 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.003  109.916  104.292 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.817   65.259  318.994 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.352   71.592  322.441 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.283   71.076  285.634 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.622  112.608  105.577 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.253   63.845  281.720 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.725  107.763  110.410 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.406  125.221  103.239 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.011  142.462  107.801 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.957   62.333  321.112 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.347   56.832  325.473 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.652   72.534  314.144 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.845  113.518  144.142 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.208  112.107  105.341 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.423   69.529  323.925 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.273  126.759  146.252 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.515   40.513  289.647 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.832   37.992  300.513 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.857  126.406  145.938 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.123  133.306  105.700 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.674  124.722  144.483 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.277   69.712  286.306 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.845   69.321  286.497 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.872  104.999  123.382 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.205  138.764  107.051 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.338  140.770  107.476 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.910   68.905  324.385 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.370  107.667  110.360 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.287  116.996  100.202 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  263.038  118.403  100.760 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.436  134.456  106.007 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.767   73.507  291.576 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.651   71.992  314.490 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.743   65.951  280.818 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.430   44.531  288.539 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.740  125.876  145.472 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.396  127.900  147.290 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.659  119.502  140.349 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.071   38.496  290.159 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.115   66.749  280.467 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.490   55.543  326.585 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.442   51.062  278.406 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.648  139.081  107.121 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.632   74.164  313.119 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.424   70.297  286.019 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.410  104.244  137.682 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.074   37.785  300.608 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.488   74.699  305.413 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  136.036   75.158  297.889 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.615   40.725  289.591 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.880   44.426  288.570 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   24.590  114.012  106.231 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.853  117.130  138.622 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.652  115.077  145.340 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.468  106.611  109.810 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.215  116.110  146.157 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  301.618   74.708  312.780 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.874   38.070  290.263 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.314   63.108  328.972 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.340  112.435  135.410 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.977   68.539  286.877 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.332   75.210  290.671 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.093   45.332  279.539 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.605  113.309  105.905 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.752  129.350  104.561 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.685  119.429  148.923 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.466   41.467  289.394 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.749   41.057  280.068 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.319  128.427   96.255 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.541  128.424  147.780 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.705   63.744  281.763 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.378  114.559  144.937 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.519   67.927  325.118 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  333.723  138.659  107.028 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.546  120.137  140.826 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.082   44.847  288.448 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.788  105.470  123.652 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.587   73.397  321.184 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.120   70.097  315.715 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.632   64.649  281.380 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.904   46.823  279.288 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.024   75.760  319.592 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.693   68.816  324.451 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.690  105.592  116.465 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.578  141.784  117.792 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.997   71.270  285.537 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   70.643  102.189  129.021 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.973   38.283  290.211 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.291   74.075  291.275 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.103   38.612  300.230 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.823   67.950  287.160 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.002  118.604  100.839 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.673   66.778  326.000 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.821   65.050  281.208 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.797  130.120   96.604 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.969  104.620  130.484 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.976  140.030  107.324 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.171  122.665  142.792 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.067  110.953  134.442 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.776   37.857  290.314 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.430   42.983  279.867 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.768   42.102  289.223 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.425   71.658  285.343 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.505  109.577  141.275 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.366   41.255  289.451 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.302  106.021  131.339 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.567   39.558  289.893 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.134  115.098   99.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.974  110.611  104.628 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.323  105.968  116.670 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.725  120.221  101.458 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  120.193  140.937  117.452 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.386   67.558  287.348 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.652   72.534  314.144 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.980   77.706  310.942 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.539  127.813  147.209 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.997   76.192  297.316 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.373  125.426  103.308 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.364   61.988  329.934 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.105   67.754  287.254 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.573  144.582  108.159 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.068   76.070  311.939 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.138   71.852  285.246 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.716  129.554  148.863 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.183  125.610  145.242 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.491  112.207  105.389 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.729   62.504  329.487 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.711   72.368  292.176 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.421   51.273  278.357 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.595  107.187  110.110 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.956  103.493  122.520 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.164  143.055  118.305 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.259   68.343  286.971 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.144   71.179  315.012 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.011  105.648  131.110 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.736  123.172  102.533 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.878   47.036  279.249 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.742  105.028  116.156 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.534  136.870  106.613 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.402  127.287  146.728 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.378  114.559  144.937 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.423   53.754  328.197 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.541   68.147  287.066 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.398  105.584  138.559 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  111.676  136.029  106.408 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.130   54.426  277.546 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.778   44.215  288.631 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.569   70.881  285.730 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.125  106.114  131.396 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  289.515   63.341  281.931 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.137  102.872  114.971 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.772  106.301  131.511 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.557   37.372  300.799 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.538   64.448  281.466 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.729  124.098  143.960 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.561   69.517  286.402 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.137   73.892  313.288 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.074  103.434  115.281 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  243.280  141.678  117.750 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.478  103.312  129.694 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.908  137.606  106.787 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.140  114.190  136.582 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.943   54.867  285.199 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.371   39.231  299.948 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.147  104.527  130.428 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.973  114.282  136.645 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.321  113.209  105.858 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.488   52.900  285.887 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.386  122.254  102.206 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.560  143.904  118.649 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.580   64.759  327.602 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.772   77.863  318.219 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.142  115.295  137.337 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.865   76.555  304.336 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.346   38.405  300.324 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.021  124.502  102.995 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.442  114.314  106.370 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   89.869   42.314  289.165 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.294   61.825  282.553 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.239   64.236  328.030 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.138  130.076  104.780 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.776  104.434  123.058 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.242  138.554  107.004 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.078  105.087  130.768 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.343  109.189  133.313 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.708   72.143  285.099 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.800   63.945  281.678 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  265.853   47.249  279.210 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.970   42.525  289.107 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.583  101.938  114.454 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.965  102.458  121.929 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.332   75.210  290.671 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.114  106.515  109.759 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.564  121.855  142.149 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.925  108.630  110.858 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.818  128.935  104.434 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.212  111.160  142.402 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.065   35.198  301.818 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.443   64.247  281.551 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.144  126.868  103.782 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.937  140.241  107.368 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  181.618   74.708  312.780 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.881   39.644  299.761 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.009   54.009  327.963 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.900  134.376   97.291 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.146   74.499  298.253 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.889  106.767  131.799 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.480  122.485  142.648 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.348  107.757  117.646 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.279   36.751  301.087 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.419   69.614  286.354 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.887  125.788  145.395 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.834   70.242  308.038 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.716   40.937  289.536 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.778  125.256  144.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.166   40.831  289.564 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.214  113.257  143.945 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.553   61.318  282.757 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.346  110.687  119.239 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.635   39.851  299.668 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.669  142.525  118.091 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.054  124.297  102.925 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.532   44.742  288.478 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.117   41.785  289.309 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.188   72.470  306.717 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   22.573  133.619  105.785 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.345   99.981  113.363 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.158   63.643  281.805 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  315.009  119.934  149.365 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.302   43.838  279.758 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.708   48.209  287.430 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.279  138.343  106.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.126   68.994  324.319 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.075   72.842  306.499 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.589   53.108  285.816 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.615   39.025  300.042 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.650  113.359  136.024 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.294  136.085   97.483 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.527  117.313  138.753 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.071  142.313  118.005 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.570  136.659  106.562 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.266  101.048  121.124 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.188  107.663  117.594 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.419  126.671  146.173 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.532  142.356  107.781 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.460   76.004  297.420 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.916   41.361  289.423 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  174.283  100.317  127.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.497   77.434  311.107 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.335   74.217  298.409 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.649   61.521  282.676 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.237  136.355  145.168 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.316  138.132  106.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.405   33.125  302.822 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.915   65.250  281.122 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.763  143.267  118.391 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.374  105.404  116.362 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.638   36.440  301.232 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.256  104.994  130.711 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.391   62.027  282.471 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.517  108.392  125.338 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.413   77.036  296.847 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.515  102.498  114.765 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.497   77.434  311.107 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.709   33.747  302.517 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.612  104.807  130.598 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.294  114.616  106.508 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.916   56.929  276.818 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  123.156   77.588  318.396 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.965   40.407  289.675 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.809  141.765  128.223 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.060  107.593  147.717 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.513  111.508  105.057 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.119   75.813  304.766 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.976  128.773  148.109 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.809   48.419  287.364 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.661  144.647  118.952 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.141  104.622  123.166 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.610   63.542  281.847 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.090   75.525  312.274 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.666   39.770  289.839 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.065   40.619  289.619 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.009   54.009  327.963 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.073   71.052  322.823 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.185   52.278  286.100 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.014  139.819  107.280 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.474   77.669  303.693 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.419   42.419  289.136 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.626  117.900  100.562 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.286   52.485  286.030 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.542   54.040  285.491 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.189   36.579  290.615 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.137   69.128  308.706 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.891  109.312  141.090 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.812  140.091  117.113 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.464   42.769  279.892 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.562  144.966  119.082 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.504  124.605  103.030 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.891  109.312  141.090 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.354   35.819  301.523 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.948   67.164  287.536 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.400   68.245  287.019 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.789   66.574  287.816 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.070   42.737  289.048 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.607  128.968  112.658 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.605   74.311  298.357 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.544  105.368  130.939 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.341   78.040  303.479 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.343  106.036  109.508 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  303.694  128.947  148.276 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.400  103.873  130.032 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.804  107.247  147.457 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.262   52.958  277.938 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.841  114.005   98.956 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.767   73.507  291.576 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.713  106.861  131.856 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.766   39.983  289.785 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.270   69.028  286.640 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.339  112.507  105.530 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.056  112.407  105.483 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.877   36.233  301.329 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.475   76.399  319.171 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.270  104.746  116.002 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.565  110.114  104.388 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.991   53.937  285.528 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.972  114.835  137.021 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.673  120.186  149.588 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.243   75.442  304.981 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.712   70.784  285.778 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.762   64.725  319.372 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.055  105.093  123.436 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.877   76.849  296.951 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.864  108.910  133.136 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.156  113.082  135.839 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  264.366   75.070  305.197 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.409  121.945  142.220 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.017   41.573  289.366 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.243  102.082  121.714 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.674  132.992  105.615 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.422  118.500  139.610 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.155  105.658  123.760 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.474  107.355  124.738 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.937  123.379  110.348 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.843   61.926  282.512 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.955   73.126  321.371 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.700  135.371  144.223 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.491  141.043  117.495 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.016  117.038  138.557 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.635   62.463  312.865 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.880  124.009  143.886 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.993   76.184  304.551 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.769  145.061  130.390 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.047  104.057  122.843 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.574  142.144  107.742 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.715   80.986  308.975 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.644   71.226  292.773 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  231.766   61.725  313.347 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.591   35.612  301.621 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.004   60.252  314.326 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.115   39.128  280.201 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   58.227   37.751  290.340 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.496   74.970  297.993 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.112   39.718  309.951 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.711   38.095  300.466 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.325   37.964  290.288 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.876   74.405  298.305 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.497   42.556  279.917 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.269   70.725  300.338 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.332   67.042  325.795 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.370  142.419  118.048 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.896  111.046  134.502 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.110   58.596  333.041 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.426   70.979  285.682 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.517   48.291  323.465 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.276   64.310  311.679 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.427  104.840  116.054 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.918   37.061  300.942 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.538  110.810  104.724 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.327  104.183  115.693 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.798   37.165  300.894 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.520  118.504  100.800 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.862  145.537  108.301 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.786  126.891  111.809 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.865  141.264  127.911 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.326  102.646  122.036 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.062   63.442  281.889 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.771   60.281  331.459 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.825  124.633  144.408 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.195   37.682  300.656 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.301   41.480  308.807 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.085   45.123  326.431 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.445  126.053  145.627 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.128   37.538  290.390 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.767   73.507  291.576 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.773   40.573  299.344 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.553   68.832  286.735 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.520   51.232  294.689 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.076   55.053  277.370 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.518   36.544  301.183 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.807  137.334  146.143 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.149  142.364  128.603 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.425   63.571  312.150 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.849  135.819  144.649 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.485   77.411  296.638 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.982  126.935  146.410 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER    3.543  103.715  115.436 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.386  103.621  115.384 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.606  119.223  131.908 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  340.996   36.130  301.377 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  137.468   38.302  300.371 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.602   41.914  279.987 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.039   65.420  310.980 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.144  125.235  111.124 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.229   66.968  287.629 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.262  108.769  125.557 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.198  102.938  129.469 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.179  106.695  124.357 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.776   75.213  319.956 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.298  106.552  146.941 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.944   52.452  294.160 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.065  133.929  142.897 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.600   75.253  312.443 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.471  135.281  144.139 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.813   74.643  290.974 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.469  136.444  145.256 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.175  141.995  117.877 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.828   61.357  313.590 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  244.484   47.936  323.782 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.005  136.266  145.081 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.055  118.415  148.052 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.895   64.146  281.593 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.235   35.923  301.474 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.766   54.884  293.101 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.360   56.702  292.304 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.004  126.318  145.860 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.737   38.922  300.089 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.332  113.295  128.230 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.697  109.995  126.273 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.194  134.381  143.306 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.150  128.448  112.447 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.776   62.836  282.140 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.758  142.264  128.539 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.549  107.286  117.389 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.477   49.704  295.351 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.240   72.938  291.876 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.434  106.626  117.030 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.733   51.842  294.425 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.279   77.982  325.659 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.423   38.177  290.237 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.844   75.440  297.733 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.548  138.064  136.112 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.889   60.988  313.834 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.920  102.563  129.245 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.729   42.656  308.069 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.404   58.345  333.284 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.215  114.708  129.085 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.301   34.991  301.917 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.922   75.816  297.524 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.208   45.822  325.749 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   61.986  137.777  146.596 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.499   38.372  321.993 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.578  108.283  148.242 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.179   71.797  292.475 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.593   78.230  317.983 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.947   60.620  314.079 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.668   39.841  320.617 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.449  131.053  113.502 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.164  105.874  116.619 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.724   72.614  299.295 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  338.530  127.514  112.064 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.401  136.801  145.608 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.957  139.191  137.014 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.557  134.921  143.803 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.135   69.810  286.259 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.860   37.959  311.146 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.567   42.128  279.964 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.762  115.462  129.546 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.153   53.061  293.896 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.765  113.247  120.634 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.048  106.204  146.685 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.545   42.434  318.362 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.981   38.715  300.182 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.547  127.199  146.648 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.644   65.702  303.134 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.955  104.559  115.899 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.706  116.403  130.127 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.947  138.252  136.260 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.148   45.472  326.088 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.564   54.277  293.366 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.189  112.226   98.177 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.057  138.463  126.225 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.496  126.788  111.766 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.059  139.764  126.995 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.411  104.246  122.950 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.240   72.938  291.876 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.997   70.589  285.875 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.132  139.264  126.696 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.437   37.475  300.751 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.899   57.137  276.754 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.026   39.657  320.785 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.293  102.966  115.023 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.065  104.807  145.674 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.458  119.047  140.012 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.769   39.013  321.382 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.383   75.628  297.629 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.532  105.498  116.413 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  299.145   66.556  302.655 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.258   51.436  294.601 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   68.799  129.671  121.426 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.844   59.942  331.771 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  359.512   39.954  299.622 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.829  114.520  128.971 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.348  142.085  139.494 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.474  127.977  120.556 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.659   50.790  321.326 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.309   40.026  320.450 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.248   39.335  299.901 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.299  140.619  117.325 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.300   75.680  327.294 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.637  109.657  149.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.058   59.884  314.574 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.930  135.460  144.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.003   39.541  299.808 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.324  143.382  140.694 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.204   49.124  304.289 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.811  140.501  138.106 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.843  140.968  138.506 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.242   73.404  328.984 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.642  117.814  131.010 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.927  125.167  144.860 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   93.329  134.831  143.719 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.684  146.773  119.828 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.298  106.552  146.941 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.509  141.713  139.160 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  288.375  124.900  144.633 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  210.282  123.715  134.905 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.088   63.022  329.045 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  131.367   55.188  292.968 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.240   72.938  291.876 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.140   71.173  285.585 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.629   40.118  320.367 RFZ  2.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.003  119.410  132.029 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.711  132.569  141.702 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.208   45.822  325.749 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.416   74.593  298.201 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.225  122.314  133.946 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.516  134.110  143.060 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.174  139.753  137.477 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.554   57.306  292.038 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.606  140.407  138.026 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.361  127.679  120.404 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.837   55.058  309.388 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.851   70.005  286.163 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.473  129.063  129.791 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.797   42.806  318.054 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.616  142.641  140.001 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.209  119.035  131.787 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.369  109.314  149.039 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.553  139.003  136.862 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.256   54.868  309.507 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.839  133.839  142.816 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.434   43.244  307.707 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.836  144.028  141.316 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.607   49.602  295.395 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.201   65.892  303.027 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.148   50.887  303.319 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.566   70.081  293.368 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.532   42.342  279.941 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.224   53.378  277.829 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.947   35.302  301.769 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.421   42.992  317.901 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.135  125.718   87.918 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.578   40.893  309.183 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.263   46.173  325.413 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.014  135.101  143.970 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.171  136.934  135.238 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.185   80.307  324.071 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.547   48.646  323.151 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.397   41.505  319.147 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.384   54.583  309.686 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.636   54.014  310.046 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.148   45.472  326.088 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.504   50.300  303.640 RFZ  2.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.418   52.970  310.714 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.962   53.973  293.499 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.965   54.773  309.567 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.383   39.473  320.955 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.045   43.179  317.749 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.315   46.524  325.080 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.883   53.445  310.409 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.702   48.450  270.706 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.564  129.073  121.118 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.468   53.634  310.287 RFZ  1.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.771   49.300  270.625 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.052   53.824  310.166 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.848   40.305  309.564 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.540   49.512  270.602 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.407   47.229  324.425 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.147  138.346  136.335 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  118.752   57.762  333.856 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.703  128.575  120.862 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.620   50.360  270.503 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.348  137.970  136.038 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.037   45.472  270.865 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.636  140.874  138.426 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  226.134   43.832  307.349 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.108  128.873  129.670 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.875  134.651  143.553 RFZ  1.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.018   42.068  308.436 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.221   43.832  317.223 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.856   49.712  303.963 RFZ  1.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.521   42.492  270.809 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  222.219   54.204  309.925 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.517   48.291  323.465 RFZ  1.89
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   This TF set has 700 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     273.8  108.0  140.2     171.3  ensemble1
   2     182.7   68.0  325.1     161.6  ensemble1
   3     165.3   68.6  324.6     157.2  ensemble1
   4     254.7  110.1  141.6     156.0  ensemble1
   5     316.5   65.1  327.3     155.0  ensemble1
   6     203.0   69.9  286.2     153.6  ensemble1
   7     341.9   55.3  326.8     152.9  ensemble1
   8      33.8  108.0  140.2     151.9  ensemble1
   9      13.1  111.9  143.0     151.0  ensemble1
   10     72.8  135.4  106.3     150.0  ensemble1
   11     84.1  136.6  106.5     148.4  ensemble1
   12     66.4  131.4  105.2     147.3  ensemble1
   13     60.0  127.5  104.0     146.6  ensemble1
   14    146.9   74.8  320.2     146.1  ensemble1
   15    234.1  114.0  144.5     145.9  ensemble1
   16    238.9  112.0  105.3     145.7  ensemble1
   17    188.7   66.0  326.6     145.7  ensemble1
   18    176.7   70.1  323.5     145.3  ensemble1
   19    133.1  111.9  143.0     145.1  ensemble1
   20    185.9   66.3  280.6     144.6  ensemble1
   21     41.7   72.5  314.1     144.4  ensemble1
   22    298.5   71.2  322.7     144.2  ensemble1
   23    149.1   76.1  311.9     144.1  ensemble1
   24    294.6  108.5  132.9     143.9  ensemble1
   25      6.7  109.8  104.2     143.8  ensemble1
   26    291.6  102.8  129.4     143.8  ensemble1
   27     96.7  114.3  144.7     143.2  ensemble1
   28    311.1  136.3  106.5     143.1  ensemble1
   29    304.6   69.2  324.2     143.1  ensemble1
   30     48.9   71.0  322.9     143.0  ensemble1
   31     74.1  142.3  107.8     143.0  ensemble1
   32    317.4  140.3  107.4     142.5  ensemble1
   33     43.8  129.1  104.5     142.2  ensemble1
   34    159.2   70.7  323.1     142.0  ensemble1
   35    103.7   41.9  289.3     141.9  ensemble1
   36    240.4  116.2   99.9     141.4  ensemble1
   37    356.4   53.8  328.2     140.9  ensemble1
   38      0.2   45.1  288.4     140.7  ensemble1
   39    342.3   40.1  289.8     140.6  ensemble1
   40    153.1   72.8  321.6     140.3  ensemble1
   41    251.7  117.3  100.3     139.8  ensemble1
   42    224.9   57.1  325.3     139.8  ensemble1
   43    351.1  117.6  147.4     139.5  ensemble1
   44    115.9  111.3  105.0     139.4  ensemble1
   45    280.7  104.2  130.3     139.3  ensemble1
   46    335.4   40.3  289.7     139.1  ensemble1
   47     92.1   69.1  286.6     138.8  ensemble1
   48    200.2   67.4  325.5     138.4  ensemble1
   49    129.7  110.5  104.6     138.4  ensemble1
   50     72.4   68.3  324.9     138.3  ensemble1
   51     25.2   73.7  321.0     137.6  ensemble1
   52    269.8  105.7  131.2     137.6  ensemble1
   53     15.6  111.9  105.2     137.4  ensemble1
   54    349.2   39.9  289.8     137.2  ensemble1
   55     57.7   64.8  281.3     136.7  ensemble1
   56    205.7  135.6  106.3     136.5  ensemble1
   57    132.6   74.3  305.6     136.1  ensemble1
   58    310.6   67.1  325.7     136.1  ensemble1
   59    196.1   70.5  285.9     135.9  ensemble1
   60    146.4  116.6  100.0     135.9  ensemble1
   61    313.9   70.7  285.8     135.8  ensemble1
   62    216.7   68.7  286.8     135.8  ensemble1
   63     95.6  123.6  143.5     135.7  ensemble1
   64    117.4  110.4  141.8     135.1  ensemble1
   65     66.4   70.3  323.3     135.0  ensemble1
   66     18.1   50.0  286.9     134.7  ensemble1
   67    207.2   38.7  290.1     134.3  ensemble1
   68    247.9  114.1  106.3     134.1  ensemble1
   69    320.7   70.1  286.1     134.0  ensemble1
   70    179.0   66.5  280.6     133.7  ensemble1
   71     53.7  123.6  102.7     133.7  ensemble1
   72    216.3  110.7  104.7     133.3  ensemble1
   73    217.1  136.8  106.6     133.3  ensemble1
   74    101.9   55.3  326.8     133.0  ensemble1
   75    218.3  112.5  143.4     132.9  ensemble1
   76     90.4  140.6  107.4     132.9  ensemble1
   77     78.4   66.2  326.4     132.8  ensemble1
   78    286.2   75.4  319.8     132.7  ensemble1
   79    304.8  132.4  105.4     132.7  ensemble1
   80    192.8   66.2  280.7     132.7  ensemble1
   81    287.1   69.8  323.7     132.6  ensemble1
   82    200.3   38.9  290.1     132.6  ensemble1
   83    110.6   41.7  289.3     132.6  ensemble1
   84    298.4  128.4  104.3     132.5  ensemble1
   85    230.0  109.9  104.3     132.4  ensemble1
   86     48.8   65.3  319.0     132.3  ensemble1
   87     31.4   71.6  322.4     131.5  ensemble1
   88    189.3   71.1  285.6     131.4  ensemble1
   89    138.6  112.6  105.6     131.3  ensemble1
   90     92.3   63.8  281.7     131.3  ensemble1
   91    121.7  107.8  110.4     131.1  ensemble1
   92     37.4  125.2  103.2     131.1  ensemble1
   93    207.0  142.5  107.8     130.8  ensemble1
   94    336.0   62.3  321.1     130.8  ensemble1
   95     87.3   56.8  325.5     130.7  ensemble1
   96    161.7   72.5  314.1     130.6  ensemble1
   97    148.8  113.5  144.1     130.6  ensemble1
   98    102.2  112.1  105.3     130.4  ensemble1
   99     37.4   69.5  323.9     130.0  ensemble1
   100   342.3  126.8  146.3     130.0  ensemble1
   101   328.5   40.5  289.6     129.9  ensemble1
   102   320.8   38.0  300.5     129.9  ensemble1
   103    74.9  126.4  145.9     129.8  ensemble1
   104   183.1  133.3  105.7     129.8  ensemble1
   105   334.7  124.7  144.5     129.7  ensemble1
   106    85.3   69.7  286.3     129.6  ensemble1
   107   209.8   69.3  286.5     129.6  ensemble1
   108   207.3   56.8  325.5     129.3  ensemble1
   109   308.9  105.0  123.4     129.2  ensemble1
   110   327.3   56.8  325.5     129.2  ensemble1
   111    40.2  138.8  107.1     129.2  ensemble1
   112   223.3  140.8  107.5     129.1  ensemble1
   113    54.9   68.9  324.4     128.9  ensemble1
   114    99.4  107.7  110.4     128.7  ensemble1
   115    52.3  117.0  100.2     128.7  ensemble1
   116   263.0  118.4  100.8     128.7  ensemble1
   117   194.4  134.5  106.0     128.7  ensemble1
   118   121.8   73.5  291.6     128.3  ensemble1
   119   126.7   72.0  314.5     128.3  ensemble1
   120   199.7   66.0  280.8     128.2  ensemble1
   121   197.4   44.5  288.5     128.2  ensemble1
   122   213.7  125.9  145.5     128.1  ensemble1
   123   221.4  127.9  147.3     128.1  ensemble1
   124   237.7  119.5  140.3     128.0  ensemble1
   125   214.1   38.5  290.2     128.0  ensemble1
   126   172.1   66.7  280.5     127.6  ensemble1
   127   239.5   55.5  326.6     127.5  ensemble1
   128   157.4   51.1  278.4     127.5  ensemble1
   129   239.6  139.1  107.1     127.4  ensemble1
   130    26.6   74.2  313.1     127.3  ensemble1
   131    78.4   70.3  286.0     127.2  ensemble1
   132   157.4  104.2  137.7     127.1  ensemble1
   133   203.1   37.8  300.6     127.1  ensemble1
   134    18.5   74.7  305.4     126.9  ensemble1
   135   136.0   75.2  297.9     126.7  ensemble1
   136   321.6   40.7  289.6     126.0  ensemble1
   137    20.9   44.4  288.6     125.9  ensemble1
   138    24.6  114.0  106.2     125.9  ensemble1
   139   119.9  117.1  138.6     125.9  ensemble1
   140   284.7  115.1  145.3     125.8  ensemble1
   141   213.5  106.6  109.8     125.5  ensemble1
   142   335.2  116.1  146.2     125.5  ensemble1
   143   301.6   74.7  312.8     125.4  ensemble1
   144   227.9   38.1  290.3     125.4  ensemble1
   145   322.3   63.1  329.0     125.3  ensemble1
   146    41.3  112.4  135.4     125.1  ensemble1
   147    99.0   68.5  286.9     125.0  ensemble1
   148   228.3   75.2  290.7     124.8  ensemble1
   149   140.1   45.3  279.5     124.4  ensemble1
   150   261.6  113.3  105.9     124.2  ensemble1
   151   176.8  129.3  104.6     123.9  ensemble1
   152   109.7  119.4  148.9     123.9  ensemble1
   153   117.5   41.5  289.4     123.9  ensemble1
   154   220.7   41.1  280.1     123.7  ensemble1
   155    49.3  128.4   96.3     123.4  ensemble1
   156    82.5  128.4  147.8     123.3  ensemble1
   157   275.7   63.7  281.8     123.2  ensemble1
   158    79.4  114.6  144.9     123.2  ensemble1
   159   339.5   67.9  325.1     123.2  ensemble1
   160   333.7  138.7  107.0     123.1  ensemble1
   161   255.5  120.1  140.8     123.0  ensemble1
   162     7.1   44.8  288.4     122.9  ensemble1
   163    74.8  105.5  123.7     122.6  ensemble1
   164   135.6   73.4  321.2     122.5  ensemble1
   165     4.1   70.1  315.7     122.5  ensemble1
   166    64.6   64.6  281.4     122.4  ensemble1
   167   237.9   46.8  279.3     122.4  ensemble1
   168    19.0   75.8  319.6     122.2  ensemble1
   169   211.7   68.8  324.5     122.1  ensemble1
   170   206.7  105.6  116.5     122.1  ensemble1
   171   106.6  141.8  117.8     122.1  ensemble1
   172   307.0   71.3  285.5     121.4  ensemble1
   173    70.6  102.2  129.0     121.3  ensemble1
   174   221.0   38.3  290.2     121.3  ensemble1
   175   197.3   74.1  291.3     121.2  ensemble1
   176   314.1   38.6  300.2     121.1  ensemble1
   177   105.8   68.0  287.2     120.9  ensemble1
   178    36.0  118.6  100.8     120.8  ensemble1
   179   217.7   66.8  326.0     120.8  ensemble1
   180    50.8   65.0  281.2     120.6  ensemble1
   181   165.8  130.1   96.6     120.6  ensemble1
   182   188.0  104.6  130.5     120.5  ensemble1
   183   118.0  140.0  107.3     120.4  ensemble1
   184   327.2  122.7  142.8     120.4  ensemble1
   185    52.1  111.0  134.4     120.3  ensemble1
   186   234.8   37.9  290.3     120.2  ensemble1
   187   346.4   43.0  279.9     120.2  ensemble1
   188    96.8   42.1  289.2     120.2  ensemble1
   189   182.4   71.7  285.3     120.0  ensemble1
   190    49.5  109.6  141.3     120.0  ensemble1
   191   124.4   41.3  289.5     119.9  ensemble1
   192    20.3  106.0  131.3     119.9  ensemble1
   193   179.6   39.6  289.9     119.9  ensemble1
   194   229.1  115.1   99.4     119.7  ensemble1
   195   353.0  110.6  104.6     119.4  ensemble1
   196   319.3  106.0  116.7     119.3  ensemble1
   197    19.7  120.2  101.5     119.2  ensemble1
   198   120.2  140.9  117.5     119.2  ensemble1
   199   230.4   67.6  287.3     119.1  ensemble1
   200   281.7   72.5  314.1     119.1  ensemble1
   201    14.0   77.7  310.9     118.8  ensemble1
   202    64.5  127.8  147.2     118.4  ensemble1
   203   231.0   76.2  297.3     118.2  ensemble1
   204   170.4  125.4  103.3     118.1  ensemble1
   205   200.4   62.0  329.9     118.1  ensemble1
   206   348.1   67.8  287.3     118.0  ensemble1
   207    96.6  144.6  108.2     118.0  ensemble1
   208   269.1   76.1  311.9     118.0  ensemble1
   209   300.1   71.9  285.2     117.9  ensemble1
   210   321.7  129.6  148.9     117.9  ensemble1
   211   103.2  125.6  145.2     117.9  ensemble1
   212   325.5  112.2  105.4     117.8  ensemble1
   213   339.7   62.5  329.5     117.7  ensemble1
   214   330.7   72.4  292.2     117.7  ensemble1
   215   171.4   51.3  278.4     117.7  ensemble1
   216   347.6  107.2  110.1     117.6  ensemble1
   217   194.0  103.5  122.5     117.6  ensemble1
   218   266.2  143.1  118.3     117.4  ensemble1
   219   341.3   68.3  287.0     117.4  ensemble1
   220   314.1   71.2  315.0     117.2  ensemble1
   221   113.0  105.6  131.1     117.1  ensemble1
   222   147.7  123.2  102.5     116.9  ensemble1
   223   251.9   47.0  279.2     116.7  ensemble1
   224   217.7  105.0  116.2     116.6  ensemble1
   225   283.5  136.9  106.6     116.6  ensemble1
   226   203.4  127.3  146.7     116.3  ensemble1
   227   199.4  114.6  144.9     116.3  ensemble1
   228   116.4   53.8  328.2     116.3  ensemble1
   229   223.5   68.1  287.1     116.2  ensemble1
   230   310.4  105.6  138.6     116.2  ensemble1
   231   111.7  136.0  106.4     116.1  ensemble1
   232    21.1   54.4  277.5     115.8  ensemble1
   233    27.8   44.2  288.6     115.6  ensemble1
   234    71.6   70.9  285.7     115.4  ensemble1
   235   177.1  106.1  131.4     115.3  ensemble1
   236   289.5   63.3  281.9     115.3  ensemble1
   237   200.1  102.9  115.0     115.2  ensemble1
   238   130.8  106.3  131.5     115.2  ensemble1
   239   327.6   37.4  300.8     114.9  ensemble1
   240    71.5   64.4  281.5     114.9  ensemble1
   241   316.7  124.1  144.0     114.7  ensemble1
   242   327.6   69.5  286.4     114.7  ensemble1
   243   249.1   73.9  313.3     114.4  ensemble1
   244   189.1  103.4  115.3     114.1  ensemble1
   245   243.3  141.7  117.7     114.1  ensemble1
   246   152.5  103.3  129.7     114.0  ensemble1
   247    28.9  137.6  106.8     113.8  ensemble1
   248   141.1  114.2  136.6     113.7  ensemble1
   249    35.9   54.9  285.2     113.6  ensemble1
   250   307.4   39.2  299.9     113.6  ensemble1
   251    31.1  104.5  130.4     113.3  ensemble1
   252   298.0  114.3  136.6     113.2  ensemble1
   253    38.3  113.2  105.9     113.2  ensemble1
   254   281.5   52.9  285.9     113.0  ensemble1
   255   269.4  122.3  102.2     112.5  ensemble1
   256   252.6  143.9  118.6     112.3  ensemble1
   257   223.6   64.8  327.6     112.3  ensemble1
   258    12.8   77.9  318.2     112.2  ensemble1
   259   223.1  115.3  137.3     112.1  ensemble1
   260   347.9   76.6  304.3     111.8  ensemble1
   261   196.3   38.4  300.3     111.8  ensemble1
   262   292.0  124.5  103.0     111.6  ensemble1
   263   334.4  114.3  106.4     111.5  ensemble1
   264    89.9   42.3  289.2     111.4  ensemble1
   265   161.3   61.8  282.6     111.2  ensemble1
   266    84.2   64.2  328.0     111.1  ensemble1
   267   282.1  130.1  104.8     111.0  ensemble1
   268    85.8  104.4  123.1     111.0  ensemble1
   269   267.2  138.6  107.0     110.7  ensemble1
   270   252.1  105.1  130.8     110.5  ensemble1
   271   312.3  109.2  133.3     110.3  ensemble1
   272   116.7   72.1  285.1     110.2  ensemble1
   273   268.8   63.9  281.7     110.2  ensemble1
   274   265.9   47.2  279.2     110.1  ensemble1
   275    83.0   42.5  289.1     110.0  ensemble1
   276    98.6  101.9  114.5     109.7  ensemble1
   277   205.0  102.5  121.9     109.7  ensemble1
   278   348.3   75.2  290.7     109.7  ensemble1
   279   191.1  106.5  109.8     109.6  ensemble1
   280   355.6  121.9  142.1     109.4  ensemble1
   281   322.9  108.6  110.9     109.3  ensemble1
   282   270.8  128.9  104.4     109.0  ensemble1
   283   305.2  111.2  142.4     109.0  ensemble1
   284   171.1   35.2  301.8     108.6  ensemble1
   285    78.4   64.2  281.6     108.6  ensemble1
   286    21.1  126.9  103.8     108.5  ensemble1
   287   250.9  140.2  107.4     108.4  ensemble1
   288   181.6   74.7  312.8     108.3  ensemble1
   289   182.9   39.6  299.8     108.3  ensemble1
   290    14.0   54.0  328.0     108.3  ensemble1
   291   276.9  134.4   97.3     108.3  ensemble1
   292    10.1   74.5  298.3     108.2  ensemble1
   293   194.9  106.8  131.8     108.1  ensemble1
   294    13.5  122.5  142.6     107.9  ensemble1
   295   224.3  107.8  117.6     107.8  ensemble1
   296   334.3   36.8  301.1     107.8  ensemble1
   297    26.4   69.6  286.4     107.5  ensemble1
   298    56.9  125.8  145.4     107.3  ensemble1
   299   307.8   70.2  308.0     107.3  ensemble1
   300   314.7   40.9  289.5     107.2  ensemble1
   301   195.8  125.3  144.9     107.2  ensemble1
   302   138.2   40.8  289.6     107.2  ensemble1
   303   166.2  113.3  143.9     107.1  ensemble1
   304   358.6   61.3  282.8     107.1  ensemble1
   305   107.3  110.7  119.2     107.0  ensemble1
   306   300.6   39.9  299.7     106.9  ensemble1
   307   229.7  142.5  118.1     106.7  ensemble1
   308   159.1  124.3  102.9     106.6  ensemble1
   309   190.5   44.7  288.5     106.5  ensemble1
   310   287.1   41.8  289.3     106.3  ensemble1
   311   163.2   72.5  306.7     106.3  ensemble1
   312    22.6  133.6  105.8     106.3  ensemble1
   313   317.3  100.0  113.4     106.2  ensemble1
   314    99.2   63.6  281.8     106.2  ensemble1
   315   315.0  119.9  149.4     106.2  ensemble1
   316    42.3   43.8  279.8     106.1  ensemble1
   317   256.7   48.2  287.4     106.0  ensemble1
   318   134.3  138.3  107.0     106.0  ensemble1
   319   258.1   69.0  324.3     106.0  ensemble1
   320   229.1   72.8  306.5     105.7  ensemble1
   321   274.6   53.1  285.8     105.6  ensemble1
   322   189.6   39.0  300.0     105.3  ensemble1
   323   169.7  113.4  136.0     105.3  ensemble1
   324    33.3  136.1   97.5     105.2  ensemble1
   325    73.5  117.3  138.8     105.1  ensemble1
   326   143.1  142.3  118.0     105.1  ensemble1
   327   150.6  136.7  106.6     105.1  ensemble1
   328   187.3  101.0  121.1     105.0  ensemble1
   329   286.2  107.7  117.6     104.9  ensemble1
   330   185.4  126.7  146.2     104.9  ensemble1
   331   140.5  142.4  107.8     104.8  ensemble1
   332   246.5   76.0  297.4     104.8  ensemble1
   333   300.9   41.4  289.4     104.7  ensemble1
   334   174.3  100.3  127.9     104.7  ensemble1
   335   116.5   77.4  311.1     104.5  ensemble1
   336   213.3   74.2  298.4     104.3  ensemble1
   337   351.6   61.5  282.7     104.2  ensemble1
   338   306.2  136.4  145.2     104.1  ensemble1
   339     1.3  138.1  106.9     103.9  ensemble1
   340    73.4   33.1  302.8     103.8  ensemble1
   341    43.9   65.3  281.1     103.6  ensemble1
   342   352.8  143.3  118.4     103.5  ensemble1
   343   330.4  105.4  116.4     103.4  ensemble1
   344   157.6   36.4  301.2     103.4  ensemble1
   345    95.3  105.0  130.7     103.3  ensemble1
   346   154.4   62.0  282.5     103.1  ensemble1
   347   207.5  108.4  125.3     103.1  ensemble1
   348   341.4   77.0  296.8     103.0  ensemble1
   349    87.5  102.5  114.8     103.0  ensemble1
   350   236.5   77.4  311.1     102.9  ensemble1
   351    66.7   33.7  302.5     102.8  ensemble1
   352   141.6  104.8  130.6     102.7  ensemble1
   353   284.3  114.6  106.5     102.7  ensemble1
   354   188.9   56.9  276.8     102.6  ensemble1
   355   123.2   77.6  318.4     102.6  ensemble1
   356   152.0   40.4  289.7     102.5  ensemble1
   357   256.8  141.8  128.2     102.4  ensemble1
   358    21.1  107.6  147.7     102.3  ensemble1
   359   202.5  111.5  105.1     102.2  ensemble1
   360   216.1   75.8  304.8     102.2  ensemble1
   361   350.0  128.8  148.1     102.2  ensemble1
   362   249.8   48.4  287.4     102.2  ensemble1
   363    15.7  144.6  119.0     102.1  ensemble1
   364   280.1  104.6  123.2     102.0  ensemble1
   365   282.6   63.5  281.8     101.9  ensemble1
   366   354.1   75.5  312.3     101.9  ensemble1
   367   172.7   39.8  289.8     101.5  ensemble1
   368   145.1   40.6  289.6     101.4  ensemble1
   369   254.0   54.0  328.0     101.3  ensemble1
   370   252.1   71.1  322.8     101.3  ensemble1
   371   302.2   52.3  286.1     101.2  ensemble1
   372   345.0  139.8  107.3     101.1  ensemble1
   373     5.5   77.7  303.7     101.1  ensemble1
   374   266.4   42.4  289.1     100.9  ensemble1
   375   290.6  117.9  100.6     100.9  ensemble1
   376   295.3   52.5  286.0     100.8  ensemble1
   377    63.5   54.0  285.5     100.8  ensemble1
   378   276.2   36.6  290.6     100.8  ensemble1
   379   290.1   69.1  308.7     100.6  ensemble1
   380    66.9  109.3  141.1     100.6  ensemble1
   381   133.8  140.1  117.1     100.6  ensemble1
   382   332.5   42.8  279.9     100.6  ensemble1
   383   325.6  145.0  119.1     100.5  ensemble1
   384   358.5  124.6  103.0     100.4  ensemble1
   385   186.9  109.3  141.1     100.3  ensemble1
   386   164.4   35.8  301.5     100.2  ensemble1
   387   354.9   67.2  287.5     100.2  ensemble1
   388   282.4   68.2  287.0     100.1  ensemble1
   389     1.8   66.6  287.8     100.0  ensemble1
   390    76.1   42.7  289.0      99.9  ensemble1
   391   224.6  129.0  112.7      99.8  ensemble1
   392    25.6   74.3  298.4      99.7  ensemble1
   393     2.5  105.4  130.9      99.7  ensemble1
   394   251.3   78.0  303.5      99.7  ensemble1
   395    79.3  106.0  109.5      99.7  ensemble1
   396   303.7  128.9  148.3      99.6  ensemble1
   397    13.4  103.9  130.0      99.4  ensemble1
   398   266.8  107.2  147.5      98.8  ensemble1
   399   283.3   53.0  277.9      98.7  ensemble1
   400   217.8  114.0   99.0      98.6  ensemble1
   401     1.8   73.5  291.6      98.5  ensemble1
   402   351.7  106.9  131.9      98.2  ensemble1
   403   165.8   40.0  289.8      98.2  ensemble1
   404    33.3   69.0  286.6      98.1  ensemble1
   405   275.3  112.5  105.5      98.1  ensemble1
   406    52.1  112.4  105.5      98.0  ensemble1
   407    39.9   36.2  301.3      97.9  ensemble1
   408     1.5   76.4  319.2      97.9  ensemble1
   409    43.3  104.7  116.0      97.9  ensemble1
   410   316.6  110.1  104.4      97.8  ensemble1
   411   247.0   53.9  285.5      97.5  ensemble1
   412   159.0  114.8  137.0      97.3  ensemble1
   413    57.7  120.2  149.6      96.9  ensemble1
   414   330.2   75.4  305.0      96.8  ensemble1
   415    12.7   70.8  285.8      96.8  ensemble1
   416   253.8   64.7  319.4      96.7  ensemble1
   417    46.1  105.1  123.4      96.7  ensemble1
   418   356.9   76.8  297.0      96.4  ensemble1
   419   201.9  108.9  133.1      96.3  ensemble1
   420    59.2  113.1  135.8      96.3  ensemble1
   421   264.4   75.1  305.2      96.3  ensemble1
   422   152.4  121.9  142.2      96.2  ensemble1
   423   294.0   41.6  289.4      96.1  ensemble1
   424   176.2  102.1  121.7      96.1  ensemble1
   425   343.7  133.0  105.6      95.9  ensemble1
   426   312.4  118.5  139.6      95.6  ensemble1
   427   269.2  105.7  123.8      95.5  ensemble1
   428   218.5  107.4  124.7      95.5  ensemble1
   429    46.9  123.4  110.3      95.5  ensemble1
   430   337.8   61.9  282.5      95.4  ensemble1
   431   246.0   73.1  321.4      95.2  ensemble1
   432   316.7  135.4  144.2      95.2  ensemble1
   433   343.5  141.0  117.5      95.0  ensemble1
   434   323.0  117.0  138.6      94.8  ensemble1
   435   183.6   62.5  312.9      94.7  ensemble1
   436   159.9  124.0  143.9      94.6  ensemble1
   437   282.0   76.2  304.6      94.1  ensemble1
   438   275.8  145.1  130.4      93.9  ensemble1
   439    57.0  104.1  122.8      93.7  ensemble1
   440     7.6  142.1  107.7      93.7  ensemble1
   441   343.7   81.0  309.0      93.4  ensemble1
   442   179.6   71.2  292.8      93.0  ensemble1
   443   231.8   61.7  313.3      93.0  ensemble1
   444    46.6   35.6  301.6      92.9  ensemble1
   445   328.0   60.3  314.3      92.8  ensemble1
   446    95.1   39.1  280.2      92.7  ensemble1
   447    58.2   37.8  290.3      92.5  ensemble1
   448   151.5   75.0  298.0      92.4  ensemble1
   449   296.1   39.7  310.0      92.4  ensemble1
   450    19.7   38.1  300.5      92.4  ensemble1
   451    51.3   38.0  290.3      92.3  ensemble1
   452   197.9   74.4  298.3      92.3  ensemble1
   453   318.5   42.6  279.9      92.2  ensemble1
   454   319.3   70.7  300.3      92.1  ensemble1
   455   107.3   67.0  325.8      92.1  ensemble1
   456     6.4  142.4  118.0      91.8  ensemble1
   457   208.9  111.0  134.5      91.7  ensemble1
   458   351.1   58.6  333.0      91.5  ensemble1
   459   130.4   71.0  285.7      91.5  ensemble1
   460   130.5   48.3  323.5      91.4  ensemble1
   461   153.3   64.3  311.7      91.1  ensemble1
   462   341.4  104.8  116.1      91.1  ensemble1
   463   150.9   37.1  300.9      91.0  ensemble1
   464    79.5  110.8  104.7      90.9  ensemble1
   465    54.3  104.2  115.7      90.8  ensemble1
   466   209.8   37.2  300.9      90.8  ensemble1
   467   329.5  118.5  100.8      90.5  ensemble1
   468   334.9  145.5  108.3      90.4  ensemble1
   469    78.8  126.9  111.8      90.2  ensemble1
   470   144.9  141.3  127.9      90.2  ensemble1
   471    39.3  102.6  122.0      90.0  ensemble1
   472   106.1   63.4  281.9      89.8  ensemble1
   473    95.8   60.3  331.5      89.7  ensemble1
   474   177.8  124.6  144.4      89.2  ensemble1
   475   144.2   37.7  300.7      89.1  ensemble1
   476   283.3   41.5  308.8      88.8  ensemble1
   477   256.1   45.1  326.4      88.6  ensemble1
   478   167.4  126.1  145.6      88.5  ensemble1
   479    65.1   37.5  290.4      88.5  ensemble1
   480   241.8   73.5  291.6      88.4  ensemble1
   481   352.8   40.6  299.3      88.4  ensemble1
   482   275.6   68.8  286.7      88.3  ensemble1
   483   355.5   51.2  294.7      88.2  ensemble1
   484    63.1   55.1  277.4      88.0  ensemble1
   485   216.5   36.5  301.2      88.0  ensemble1
   ----- angles below here for deep search only -----
   486   295.8  137.3  146.1      87.8  ensemble1
   487    31.1  142.4  128.6      87.8  ensemble1
   488   201.4   63.6  312.2      87.5  ensemble1
   489    82.8  135.8  144.6      87.4  ensemble1
   490   310.5   77.4  296.6      87.3  ensemble1
   491   296.0  126.9  146.4      87.3  ensemble1
   492     3.5  103.7  115.4      87.2  ensemble1
   493    65.4  103.6  115.4      87.1  ensemble1
   494   224.6  119.2  131.9      87.0  ensemble1
   495   341.0   36.1  301.4      87.0  ensemble1
   496   137.5   38.3  300.4      86.9  ensemble1
   497   276.6   41.9  280.0      86.7  ensemble1
   498   171.0   65.4  311.0      86.6  ensemble1
   499   106.1  125.2  111.1      86.6  ensemble1
   500   237.2   67.0  287.6      86.5  ensemble1
   501   236.3  108.8  125.6      86.3  ensemble1
   502   245.2  102.9  129.5      86.2  ensemble1
   503   258.2  106.7  124.4      86.1  ensemble1
   504   239.8   75.2  320.0      86.1  ensemble1
   505    38.3  106.6  146.9      85.8  ensemble1
   506   341.9   52.5  294.2      85.7  ensemble1
   507   201.1  133.9  142.9      85.7  ensemble1
   508    96.6   75.3  312.4      85.6  ensemble1
   509   219.5  135.3  144.1      85.5  ensemble1
   510    32.8   74.6  291.0      85.5  ensemble1
   511    43.5  136.4  145.3      84.9  ensemble1
   512   193.2  142.0  117.9      84.8  ensemble1
   513   345.8   61.4  313.6      84.8  ensemble1
   514   244.5   47.9  323.8      84.7  ensemble1
   515   209.0  136.3  145.1      84.4  ensemble1
   516   179.1  118.4  148.1      84.4  ensemble1
   517   261.9   64.1  281.6      84.2  ensemble1
   518   223.2   35.9  301.5      84.1  ensemble1
   519   314.8   54.9  293.1      84.0  ensemble1
   520   294.4   56.7  292.3      83.8  ensemble1
   521   278.0  126.3  145.9      83.7  ensemble1
   522   130.7   38.9  300.1      83.6  ensemble1
   523   221.3  113.3  128.2      83.6  ensemble1
   524    59.7  110.0  126.3      83.4  ensemble1
   525   327.2  134.4  143.3      83.3  ensemble1
   526   188.2  128.4  112.4      83.1  ensemble1
   527   126.8   62.8  282.1      83.0  ensemble1
   528     8.8  142.3  128.5      82.9  ensemble1
   529   173.5  107.3  117.4      82.6  ensemble1
   530   192.5   49.7  295.4      82.5  ensemble1
   531    46.2   72.9  291.9      82.3  ensemble1
   532   246.4  106.6  117.0      82.1  ensemble1
   533   348.7   51.8  294.4      81.6  ensemble1
   534   149.3   78.0  325.7      81.6  ensemble1
   535    44.4   38.2  290.2      81.1  ensemble1
   536   292.8   75.4  297.7      81.1  ensemble1
   537   302.5  138.1  136.1      81.0  ensemble1
   538   279.9   61.0  313.8      81.0  ensemble1
   539   337.9  102.6  129.2      80.9  ensemble1
   540   194.7   42.7  308.1      80.9  ensemble1
   541   101.4   58.3  333.3      80.5  ensemble1
   542   239.2  114.7  129.1      80.5  ensemble1
   543    53.3   35.0  301.9      80.2  ensemble1
   544   261.9   75.8  297.5      80.2  ensemble1
   545    28.2   45.8  325.7      80.0  ensemble1
   546    62.0  137.8  146.6      80.0  ensemble1
   547   262.5   38.4  322.0      79.9  ensemble1
   548   249.6  108.3  148.2      79.9  ensemble1
   549   255.2   71.8  292.5      79.9  ensemble1
   550   105.6   78.2  318.0      79.8  ensemble1
   551   213.9   60.6  314.1      79.7  ensemble1
   552   139.7   39.8  320.6      79.5  ensemble1
   553    10.4  131.1  113.5      79.5  ensemble1
   554    21.2  105.9  116.6      79.4  ensemble1
   555   164.7   72.6  299.3      79.4  ensemble1
   556   338.5  127.5  112.1      79.1  ensemble1
   557    72.4  136.8  145.6      78.9  ensemble1
   558   281.0  139.2  137.0      78.9  ensemble1
   559   190.6  134.9  143.8      78.8  ensemble1
   560   144.1   69.8  286.3      78.6  ensemble1
   561   308.9   38.0  311.1      78.5  ensemble1
   562   290.6   42.1  280.0      78.2  ensemble1
   563   296.8  115.5  129.5      77.8  ensemble1
   564   335.2   53.1  293.9      77.3  ensemble1
   565   237.8  113.2  120.6      77.1  ensemble1
   566   284.0  106.2  146.7      77.1  ensemble1
   567   284.5   42.4  318.4      76.7  ensemble1
   568    13.0   38.7  300.2      76.6  ensemble1
   569    46.5  127.2  146.6      76.6  ensemble1
   570   188.6   65.7  303.1      76.0  ensemble1
   571   167.0  104.6  115.9      75.9  ensemble1
   572   188.7  116.4  130.1      75.7  ensemble1
   573   178.9  138.3  136.3      75.7  ensemble1
   574   142.1   45.5  326.1      75.7  ensemble1
   575   321.6   54.3  293.4      75.6  ensemble1
   576   101.2  112.2   98.2      75.3  ensemble1
   577   238.1  138.5  126.2      75.3  ensemble1
   578   215.5  126.8  111.8      75.2  ensemble1
   579   169.1  139.8  127.0      75.0  ensemble1
   580   251.4  104.2  123.0      74.7  ensemble1
   581   166.2   72.9  291.9      74.5  ensemble1
   582   255.0   70.6  285.9      74.5  ensemble1
   583    57.1  139.3  126.7      74.3  ensemble1
   584    26.4   37.5  300.8      74.2  ensemble1
   585   202.9   57.1  276.8      74.1  ensemble1
   586   155.0   39.7  320.8      74.0  ensemble1
   587   138.3  103.0  115.0      73.9  ensemble1
   588     7.1  104.8  145.7      73.8  ensemble1
   589   173.5  119.0  140.0      73.8  ensemble1
   590    28.8   39.0  321.4      73.5  ensemble1
   591   277.4   75.6  297.6      73.5  ensemble1
   592   268.5  105.5  116.4      73.2  ensemble1
   593   299.1   66.6  302.7      72.8  ensemble1
   594   113.3   51.4  294.6      72.8  ensemble1
   595    68.8  129.7  121.4      72.6  ensemble1
   596     2.8   59.9  331.8      72.5  ensemble1
   597   359.5   40.0  299.6      72.4  ensemble1
   598    44.8  114.5  129.0      72.3  ensemble1
   599   165.3  142.1  139.5      72.1  ensemble1
   600    48.5  128.0  120.6      71.8  ensemble1
   601   232.7   50.8  321.3      71.7  ensemble1
   602   124.3   40.0  320.4      71.6  ensemble1
   603     6.2   39.3  299.9      71.6  ensemble1
   604   170.3  140.6  117.3      71.6  ensemble1
   605   155.3   75.7  327.3      71.4  ensemble1
   606   346.6  109.7  149.3      71.4  ensemble1
   607   262.1   59.9  314.6      71.4  ensemble1
   608    53.9  135.5  144.3      70.8  ensemble1
   609   124.0   39.5  299.8      70.6  ensemble1
   610    20.3  143.4  140.7      70.6  ensemble1
   611   187.2   49.1  304.3      70.3  ensemble1
   612   135.8  140.5  138.1      70.3  ensemble1
   613   186.8  141.0  138.5      70.2  ensemble1
   614   161.2   73.4  329.0      70.0  ensemble1
   615   206.6  117.8  131.0      69.9  ensemble1
   616    38.9  125.2  144.9      69.8  ensemble1
   617    93.3  134.8  143.7      69.7  ensemble1
   618   161.7  146.8  119.8      69.5  ensemble1
   619   218.3  106.6  146.9      69.3  ensemble1
   620    52.5  141.7  139.2      69.1  ensemble1
   621   288.4  124.9  144.6      69.1  ensemble1
   622   210.3  123.7  134.9      68.5  ensemble1
   623   119.1   63.0  329.0      67.9  ensemble1
   624   131.4   55.2  293.0      67.9  ensemble1
   625   286.2   72.9  291.9      67.7  ensemble1
   626   248.1   71.2  285.6      67.3  ensemble1
   627   296.6   40.1  320.4      66.0  ensemble1
   628    59.0  119.4  132.0      65.3  ensemble1
   629   182.7  132.6  141.7      65.1  ensemble1
   630   208.2   45.8  325.7      64.9  ensemble1
   631   182.4   74.6  298.2      64.8  ensemble1
   632   192.2  122.3  133.9      64.6  ensemble1
   633    35.5  134.1  143.1      64.5  ensemble1
   634   270.2  139.8  137.5      63.7  ensemble1
   635   287.6   57.3  292.0      63.5  ensemble1
   636   197.6  140.4  138.0      63.1  ensemble1
   637   341.4  127.7  120.4      63.0  ensemble1
   638   332.8   55.1  309.4      63.0  ensemble1
   639   261.9   70.0  286.2      62.7  ensemble1
   640    54.5  129.1  129.8      62.4  ensemble1
   641   253.8   42.8  318.1      62.3  ensemble1
   642   154.6  142.6  140.0      62.2  ensemble1
   643    30.2  119.0  131.8      61.4  ensemble1
   644   232.4  109.3  149.0      61.2  ensemble1
   645    44.6  139.0  136.9      61.1  ensemble1
   646   348.3   54.9  309.5      61.0  ensemble1
   647   103.8  133.8  142.8      60.8  ensemble1
   648   270.4   43.2  307.7      60.8  ensemble1
   649   307.8  144.0  141.3      60.7  ensemble1
   650   133.6   49.6  295.4      60.1  ensemble1
   651   173.2   65.9  303.0      59.8  ensemble1
   652   294.1   50.9  303.3      59.6  ensemble1
   653   268.6   70.1  293.4      58.4  ensemble1
   654   304.5   42.3  279.9      58.4  ensemble1
   655   311.2   53.4  277.8      58.0  ensemble1
   656   229.9   35.3  301.8      57.8  ensemble1
   657   238.4   43.0  317.9      57.2  ensemble1
   658   250.1  125.7   87.9      57.0  ensemble1
   659   207.6   40.9  309.2      56.8  ensemble1
   660   274.3   46.2  325.4      56.7  ensemble1
   661    25.0  135.1  144.0      56.3  ensemble1
   662   324.2  136.9  135.2      56.2  ensemble1
   663   143.2   80.3  324.1      56.1  ensemble1
   664   196.5   48.6  323.2      55.9  ensemble1
   665     1.4   41.5  319.1      55.4  ensemble1
   666   191.4   54.6  309.7      55.0  ensemble1
   667   237.6   54.0  310.0      55.0  ensemble1
   668   322.1   45.5  326.1      55.0  ensemble1
   669   218.5   50.3  303.6      53.3  ensemble1
   670   142.4   53.0  310.7      52.4  ensemble1
   671   145.0   54.0  293.5      52.4  ensemble1
   672   176.0   54.8  309.6      51.9  ensemble1
   673   170.4   39.5  321.0      51.3  ensemble1
   674   223.0   43.2  317.7      51.0  ensemble1
   675   160.3   46.5  325.1      50.9  ensemble1
   676   283.9   53.4  310.4      49.3  ensemble1
   677   145.7   48.5  270.7      49.1  ensemble1
   678   294.6  129.1  121.1      49.0  ensemble1
   679   268.5   53.6  310.3      48.1  ensemble1
   680    12.8   49.3  270.6      47.0  ensemble1
   681   253.1   53.8  310.2      47.0  ensemble1
   682   251.8   40.3  309.6      46.8  ensemble1
   683   159.5   49.5  270.6      46.4  ensemble1
   684   292.4   47.2  324.4      46.1  ensemble1
   685   117.1  138.3  136.3      46.0  ensemble1
   686   118.8   57.8  333.9      45.9  ensemble1
   687   182.7  128.6  120.9      45.8  ensemble1
   688    26.6   50.4  270.5      45.1  ensemble1
   689     4.3  138.0  136.0      44.7  ensemble1
   690   251.0   45.5  270.9      44.7  ensemble1
   691   248.6  140.9  138.4      44.1  ensemble1
   692   226.1   43.8  307.3      43.6  ensemble1
   693   178.1  128.9  129.7      43.3  ensemble1
   694   258.9  134.7  143.6      42.5  ensemble1
   695   239.0   42.1  308.4      41.2  ensemble1
   696   349.2   43.8  317.2      41.1  ensemble1
   697   262.9   49.7  304.0      39.3  ensemble1
   698   356.5   42.5  270.8      38.9  ensemble1
   699   222.2   54.2  309.9      38.7  ensemble1
   700   310.5   48.3  323.5      38.6  ensemble1

      485 trial orientations in initial search
      215 trial orientations in deep search


   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #3 of 3
   0%                                                              100%
   |===============================================================| DONE

   Mean Score (Sigma):       67.41   (21.69)

   SET #3 of 3 TRIAL #1 of 485
   ---------------------------
   Ensemble ensemble1 Euler 273.84 107.99 140.17 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 213.72 (TFZ=3.4) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.280  0.557  0.000     213.72  3.39
   2      0.169  0.735  0.000     210.11  3.10
   3      0.292  0.569  0.000     209.34  3.04
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #1 of 485
   0%        100%
   |==========| DONE


   New Top (ML) Translation Function LLG = 168.97 (TFZ=4.7) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.280  0.557  0.000     168.97  3.39   0.0      2     213.72/    213.72
   2      0.169  0.735  0.000     165.26  3.10   6.8      1     210.11/    210.11
   3      0.103  0.635  0.000     163.07  2.92   8.8      2     207.83/    207.83
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 3 TRIAL #2 of 485
   ---------------------------
   Ensemble ensemble1 Euler 182.74  68.02 325.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.056  0.976  0.000     211.27  3.83
   2      0.123  0.221  0.000     208.43  3.61
   3      0.189  0.254  0.000     207.25  3.52
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #2 of 485
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.056  0.976  0.000     167.26  3.83   0.0      2     211.27/    211.27
   2      0.123  0.221  0.000     165.03  3.61   7.4      2     208.43/    208.43
   3      0.189  0.254  0.000     162.05  3.52  10.0      2     207.25/    207.25
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 3 TRIAL #3 of 485
   ---------------------------
   Ensemble ensemble1 Euler 165.26  68.64 324.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.175  0.861  0.000     198.57  3.21

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #3 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.175  0.861  0.000     154.58  3.21   0.0      1     198.57/    198.57

   SET #3 of 3 TRIAL #4 of 485
   ---------------------------
   Ensemble ensemble1 Euler 254.74 110.11 141.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.063  0.892  0.000     200.59  3.44
   2      0.252  0.225  0.000     198.83  3.30

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #4 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.252  0.225  0.000     153.42  3.30   0.0      1     198.83/    198.83
   2      0.063  0.892  0.000     152.87  3.44   7.4      1     200.59/    200.59

   SET #3 of 3 TRIAL #5 of 485
   ---------------------------
   Ensemble ensemble1 Euler 316.47  65.11 327.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #6 of 485
   ---------------------------
   Ensemble ensemble1 Euler 202.99  69.91 286.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #7 of 485
   ---------------------------
   Ensemble ensemble1 Euler 341.91  55.29 326.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.246  0.907  0.000     199.90  3.82
   2      0.235  0.896  0.000     198.99  3.75

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #7 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246  0.907  0.000     149.31  3.82   0.0      2     199.90/    199.90

   SET #3 of 3 TRIAL #8 of 485
   ---------------------------
   Ensemble ensemble1 Euler  33.84 107.99 140.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.109  0.223  0.000     199.79  3.81

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #8 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.109  0.223  0.000     152.83  3.81   0.0      1     199.79/    199.79

   SET #3 of 3 TRIAL #9 of 485
   ---------------------------
   Ensemble ensemble1 Euler  13.08 111.95 142.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #10 of 485
   ----------------------------
   Ensemble ensemble1 Euler  72.78 135.40 106.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #11 of 485
   ----------------------------
   Ensemble ensemble1 Euler  84.09 136.55 106.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.168  0.796  0.000     199.21  4.04

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #11 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.168  0.796  0.000     145.62  4.04   0.0      1     199.21/    199.21

   SET #3 of 3 TRIAL #12 of 485
   ----------------------------
   Ensemble ensemble1 Euler  66.42 131.43 105.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #13 of 485
   ----------------------------
   Ensemble ensemble1 Euler  60.05 127.49 103.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.061  0.304  0.000     194.76  3.91

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #13 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.061  0.304  0.000     146.32  3.91   0.0      1     194.76/    194.76

   SET #3 of 3 TRIAL #14 of 485
   ----------------------------
   Ensemble ensemble1 Euler 146.94  74.85 320.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #15 of 485
   ----------------------------
   Ensemble ensemble1 Euler 234.11 114.04 144.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #16 of 485
   ----------------------------
   Ensemble ensemble1 Euler 238.93 112.01 105.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.305  0.339  0.000     195.19  4.07

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #16 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.305  0.339  0.000     148.95  4.07   0.0      1     195.19/    195.19

   SET #3 of 3 TRIAL #17 of 485
   ----------------------------
   Ensemble ensemble1 Euler 188.69  65.99 326.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #18 of 485
   ----------------------------
   Ensemble ensemble1 Euler 176.72  70.07 323.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #19 of 485
   ----------------------------
   Ensemble ensemble1 Euler 133.08 111.95 142.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #20 of 485
   ----------------------------
   Ensemble ensemble1 Euler 185.93  66.35 280.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #21 of 485
   ----------------------------
   Ensemble ensemble1 Euler  41.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #22 of 485
   ----------------------------
   Ensemble ensemble1 Euler 298.50  71.23 322.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #23 of 485
   ----------------------------
   Ensemble ensemble1 Euler 149.07  76.07 311.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #24 of 485
   ----------------------------
   Ensemble ensemble1 Euler 294.56 108.54 132.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #25 of 485
   ----------------------------
   Ensemble ensemble1 Euler   6.72 109.82 104.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #26 of 485
   ----------------------------
   Ensemble ensemble1 Euler 291.56 102.75 129.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #27 of 485
   ----------------------------
   Ensemble ensemble1 Euler  96.74 114.30 144.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #28 of 485
   ----------------------------
   Ensemble ensemble1 Euler 311.12 136.34 106.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #29 of 485
   ----------------------------
   Ensemble ensemble1 Euler 304.56  69.17 324.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #30 of 485
   ----------------------------
   Ensemble ensemble1 Euler  48.86  70.96 322.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #31 of 485
   ----------------------------
   Ensemble ensemble1 Euler  74.05 142.25 107.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.153  0.783  0.000     193.11  3.98

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #31 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.153  0.783  0.000     146.43  3.98   0.0      1     193.11/    193.11

   SET #3 of 3 TRIAL #32 of 485
   ----------------------------
   Ensemble ensemble1 Euler 317.42 140.35 107.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.129  0.846  0.000     198.73  4.51

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #32 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.129  0.846  0.000     149.84  4.51   0.0      1     198.73/    198.73

   SET #3 of 3 TRIAL #33 of 485
   ----------------------------
   Ensemble ensemble1 Euler  43.79 129.14 104.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #34 of 485
   ----------------------------
   Ensemble ensemble1 Euler 159.22  70.69 323.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.162  0.848  0.000     191.99  3.90

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #34 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.162  0.848  0.000     146.15  3.90   0.0      1     191.99/    191.99

   SET #3 of 3 TRIAL #35 of 485
   ----------------------------
   Ensemble ensemble1 Euler 103.67  41.89 289.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #36 of 485
   ----------------------------
   Ensemble ensemble1 Euler 240.43 116.20  99.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #37 of 485
   ----------------------------
   Ensemble ensemble1 Euler 356.42  53.75 328.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #38 of 485
   ----------------------------
   Ensemble ensemble1 Euler   0.18  45.06 288.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #39 of 485
   ----------------------------
   Ensemble ensemble1 Euler 342.32  40.09 289.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.154  0.871  0.000     194.33  4.16

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #39 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.154  0.871  0.000     144.79  4.16   0.0      1     194.33/    194.33

   SET #3 of 3 TRIAL #40 of 485
   ----------------------------
   Ensemble ensemble1 Euler 153.11  72.76 321.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #41 of 485
   ----------------------------
   Ensemble ensemble1 Euler 251.73 117.30 100.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #42 of 485
   ----------------------------
   Ensemble ensemble1 Euler 224.91  57.09 325.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #43 of 485
   ----------------------------
   Ensemble ensemble1 Euler 351.10 117.65 147.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #44 of 485
   ----------------------------
   Ensemble ensemble1 Euler 115.95 111.31 104.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.034  0.194  0.000     191.05  4.17

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #44 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.034  0.194  0.000     142.87  4.17   0.0      1     191.05/    191.05

   SET #3 of 3 TRIAL #45 of 485
   ----------------------------
   Ensemble ensemble1 Euler 280.68 104.25 130.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #46 of 485
   ----------------------------
   Ensemble ensemble1 Euler 335.42  40.30 289.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.156  0.872  0.000     191.90  4.04

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #46 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.156  0.872  0.000     144.08  4.04   0.0      1     191.90/    191.90

   SET #3 of 3 TRIAL #47 of 485
   ----------------------------
   Ensemble ensemble1 Euler  92.13  69.13 286.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #48 of 485
   ----------------------------
   Ensemble ensemble1 Euler 200.21  67.40 325.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #49 of 485
   ----------------------------
   Ensemble ensemble1 Euler 129.69 110.51 104.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #50 of 485
   ----------------------------
   Ensemble ensemble1 Euler  72.39  68.28 324.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #51 of 485
   ----------------------------
   Ensemble ensemble1 Euler  25.22  73.67 321.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #52 of 485
   ----------------------------
   Ensemble ensemble1 Euler 269.83 105.74 131.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #53 of 485
   ----------------------------
   Ensemble ensemble1 Euler  15.64 111.91 105.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #54 of 485
   ----------------------------
   Ensemble ensemble1 Euler 349.22  39.88 289.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.140  0.858  0.000     190.27  4.13

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #54 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.140  0.858  0.000     138.59  4.13   0.0      1     190.27/    190.27

   SET #3 of 3 TRIAL #55 of 485
   ----------------------------
   Ensemble ensemble1 Euler  57.73  64.85 281.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.116  0.674  0.000     191.42  4.54

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #55 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.116  0.674  0.000     144.90  4.54   0.0      1     191.42/    191.42

   SET #3 of 3 TRIAL #56 of 485
   ----------------------------
   Ensemble ensemble1 Euler 205.75 135.61 106.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #57 of 485
   ----------------------------
   Ensemble ensemble1 Euler 132.61  74.33 305.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #58 of 485
   ----------------------------
   Ensemble ensemble1 Euler 310.55  67.13 325.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #59 of 485
   ----------------------------
   Ensemble ensemble1 Euler 196.14  70.49 285.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #60 of 485
   ----------------------------
   Ensemble ensemble1 Euler 146.36 116.60 100.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #61 of 485
   ----------------------------
   Ensemble ensemble1 Euler 313.85  70.69 285.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #62 of 485
   ----------------------------
   Ensemble ensemble1 Euler 216.69  68.73 286.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #63 of 485
   ----------------------------
   Ensemble ensemble1 Euler  95.64 123.56 143.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #64 of 485
   ----------------------------
   Ensemble ensemble1 Euler 117.35 110.37 141.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.258  0.322  0.000     191.49  4.36

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #64 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.258  0.322  0.000     144.71  4.36   0.0      1     191.49/    191.49

   SET #3 of 3 TRIAL #65 of 485
   ----------------------------
   Ensemble ensemble1 Euler  66.36  70.33 323.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.065  0.311  0.000     193.10  4.81

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #65 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.065  0.311  0.000     150.15  4.81   0.0      1     193.10/    193.10

   SET #3 of 3 TRIAL #66 of 485
   ----------------------------
   Ensemble ensemble1 Euler  18.07  49.99 286.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #67 of 485
   ----------------------------
   Ensemble ensemble1 Euler 207.17  38.71 290.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #68 of 485
   ----------------------------
   Ensemble ensemble1 Euler 247.87 114.11 106.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #69 of 485
   ----------------------------
   Ensemble ensemble1 Euler 320.71  70.10 286.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #70 of 485
   ----------------------------
   Ensemble ensemble1 Euler 179.02  66.55 280.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #71 of 485
   ----------------------------
   Ensemble ensemble1 Euler  53.67 123.58 102.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #72 of 485
   ----------------------------
   Ensemble ensemble1 Euler 216.26 110.71 104.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #73 of 485
   ----------------------------
   Ensemble ensemble1 Euler 217.05 136.76 106.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.102  0.996  0.000     187.91  4.53

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #73 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.102  0.996  0.000     140.01  4.53   0.0      1     187.91/    187.91

   SET #3 of 3 TRIAL #74 of 485
   ----------------------------
   Ensemble ensemble1 Euler 101.91  55.29 326.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #75 of 485
   ----------------------------
   Ensemble ensemble1 Euler 218.33 112.47 143.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #76 of 485
   ----------------------------
   Ensemble ensemble1 Euler  90.38 140.56 107.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.159  0.786  0.000     195.01  4.82

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #76 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.159  0.786  0.000     148.66  4.82   0.0      1     195.01/    195.01

   SET #3 of 3 TRIAL #77 of 485
   ----------------------------
   Ensemble ensemble1 Euler  78.35  66.25 326.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #78 of 485
   ----------------------------
   Ensemble ensemble1 Euler 286.19  75.40 319.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #79 of 485
   ----------------------------
   Ensemble ensemble1 Euler 304.77 132.37 105.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #80 of 485
   ----------------------------
   Ensemble ensemble1 Euler 192.84  66.15 280.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #81 of 485
   ----------------------------
   Ensemble ensemble1 Euler 287.07  69.80 323.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #82 of 485
   ----------------------------
   Ensemble ensemble1 Euler 200.27  38.92 290.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #83 of 485
   ----------------------------
   Ensemble ensemble1 Euler 110.57  41.68 289.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #84 of 485
   ----------------------------
   Ensemble ensemble1 Euler 298.40 128.42 104.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #85 of 485
   ----------------------------
   Ensemble ensemble1 Euler 230.00 109.92 104.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #86 of 485
   ----------------------------
   Ensemble ensemble1 Euler  48.82  65.26 318.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #87 of 485
   ----------------------------
   Ensemble ensemble1 Euler  31.35  71.59 322.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #88 of 485
   ----------------------------
   Ensemble ensemble1 Euler 189.28  71.08 285.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #89 of 485
   ----------------------------
   Ensemble ensemble1 Euler 138.62 112.61 105.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #90 of 485
   ----------------------------
   Ensemble ensemble1 Euler  92.25  63.84 281.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #91 of 485
   ----------------------------
   Ensemble ensemble1 Euler 121.73 107.76 110.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #92 of 485
   ----------------------------
   Ensemble ensemble1 Euler  37.41 125.22 103.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #93 of 485
   ----------------------------
   Ensemble ensemble1 Euler 207.01 142.46 107.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #94 of 485
   ----------------------------
   Ensemble ensemble1 Euler 335.96  62.33 321.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #95 of 485
   ----------------------------
   Ensemble ensemble1 Euler  87.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #96 of 485
   ----------------------------
   Ensemble ensemble1 Euler 161.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #97 of 485
   ----------------------------
   Ensemble ensemble1 Euler 148.84 113.52 144.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #98 of 485
   ----------------------------
   Ensemble ensemble1 Euler 102.21 112.11 105.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #99 of 485
   ----------------------------
   Ensemble ensemble1 Euler  37.42  69.53 323.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #100 of 485
   -----------------------------
   Ensemble ensemble1 Euler 342.27 126.76 146.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #101 of 485
   -----------------------------
   Ensemble ensemble1 Euler 328.52  40.51 289.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.169  0.884  0.000     187.50  4.45

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 3 TRIAL #101 of 485
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.169  0.884  0.000     136.62  4.45   0.0      1     187.50/    187.50

   SET #3 of 3 TRIAL #102 of 485
   -----------------------------
   Ensemble ensemble1 Euler 320.83  37.99 300.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #103 of 485
   -----------------------------
   Ensemble ensemble1 Euler  74.86 126.41 145.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #104 of 485
   -----------------------------
   Ensemble ensemble1 Euler 183.12 133.31 105.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #105 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.67 124.72 144.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #106 of 485
   -----------------------------
   Ensemble ensemble1 Euler  85.28  69.71 286.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #107 of 485
   -----------------------------
   Ensemble ensemble1 Euler 209.84  69.32 286.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #108 of 485
   -----------------------------
   Ensemble ensemble1 Euler 207.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #109 of 485
   -----------------------------
   Ensemble ensemble1 Euler 308.87 105.00 123.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #110 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.35  56.83 325.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #111 of 485
   -----------------------------
   Ensemble ensemble1 Euler  40.20 138.76 107.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #112 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.34 140.77 107.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #113 of 485
   -----------------------------
   Ensemble ensemble1 Euler  54.91  68.91 324.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #114 of 485
   -----------------------------
   Ensemble ensemble1 Euler  99.37 107.67 110.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #115 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.29 117.00 100.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #116 of 485
   -----------------------------
   Ensemble ensemble1 Euler 263.04 118.40 100.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #117 of 485
   -----------------------------
   Ensemble ensemble1 Euler 194.44 134.46 106.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #118 of 485
   -----------------------------
   Ensemble ensemble1 Euler 121.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #119 of 485
   -----------------------------
   Ensemble ensemble1 Euler 126.65  71.99 314.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #120 of 485
   -----------------------------
   Ensemble ensemble1 Euler 199.74  65.95 280.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #121 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.43  44.53 288.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #122 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.74 125.88 145.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #123 of 485
   -----------------------------
   Ensemble ensemble1 Euler 221.40 127.90 147.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #124 of 485
   -----------------------------
   Ensemble ensemble1 Euler 237.66 119.50 140.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #125 of 485
   -----------------------------
   Ensemble ensemble1 Euler 214.07  38.50 290.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #126 of 485
   -----------------------------
   Ensemble ensemble1 Euler 172.12  66.75 280.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #127 of 485
   -----------------------------
   Ensemble ensemble1 Euler 239.49  55.54 326.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #128 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.44  51.06 278.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #129 of 485
   -----------------------------
   Ensemble ensemble1 Euler 239.65 139.08 107.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #130 of 485
   -----------------------------
   Ensemble ensemble1 Euler  26.63  74.16 313.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #131 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.42  70.30 286.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #132 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.41 104.24 137.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #133 of 485
   -----------------------------
   Ensemble ensemble1 Euler 203.07  37.79 300.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #134 of 485
   -----------------------------
   Ensemble ensemble1 Euler  18.49  74.70 305.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #135 of 485
   -----------------------------
   Ensemble ensemble1 Euler 136.04  75.16 297.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #136 of 485
   -----------------------------
   Ensemble ensemble1 Euler 321.62  40.73 289.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #137 of 485
   -----------------------------
   Ensemble ensemble1 Euler  20.88  44.43 288.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #138 of 485
   -----------------------------
   Ensemble ensemble1 Euler  24.59 114.01 106.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #139 of 485
   -----------------------------
   Ensemble ensemble1 Euler 119.85 117.13 138.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #140 of 485
   -----------------------------
   Ensemble ensemble1 Euler 284.65 115.08 145.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #141 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.47 106.61 109.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #142 of 485
   -----------------------------
   Ensemble ensemble1 Euler 335.21 116.11 146.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #143 of 485
   -----------------------------
   Ensemble ensemble1 Euler 301.62  74.71 312.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #144 of 485
   -----------------------------
   Ensemble ensemble1 Euler 227.87  38.07 290.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #145 of 485
   -----------------------------
   Ensemble ensemble1 Euler 322.31  63.11 328.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #146 of 485
   -----------------------------
   Ensemble ensemble1 Euler  41.34 112.44 135.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #147 of 485
   -----------------------------
   Ensemble ensemble1 Euler  98.98  68.54 286.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #148 of 485
   -----------------------------
   Ensemble ensemble1 Euler 228.33  75.21 290.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #149 of 485
   -----------------------------
   Ensemble ensemble1 Euler 140.09  45.33 279.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #150 of 485
   -----------------------------
   Ensemble ensemble1 Euler 261.60 113.31 105.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #151 of 485
   -----------------------------
   Ensemble ensemble1 Euler 176.75 129.35 104.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #152 of 485
   -----------------------------
   Ensemble ensemble1 Euler 109.69 119.43 148.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #153 of 485
   -----------------------------
   Ensemble ensemble1 Euler 117.47  41.47 289.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #154 of 485
   -----------------------------
   Ensemble ensemble1 Euler 220.75  41.06 280.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #155 of 485
   -----------------------------
   Ensemble ensemble1 Euler  49.32 128.43  96.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #156 of 485
   -----------------------------
   Ensemble ensemble1 Euler  82.54 128.42 147.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #157 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.71  63.74 281.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #158 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.38 114.56 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #159 of 485
   -----------------------------
   Ensemble ensemble1 Euler 339.52  67.93 325.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #160 of 485
   -----------------------------
   Ensemble ensemble1 Euler 333.72 138.66 107.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #161 of 485
   -----------------------------
   Ensemble ensemble1 Euler 255.55 120.14 140.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #162 of 485
   -----------------------------
   Ensemble ensemble1 Euler   7.08  44.85 288.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #163 of 485
   -----------------------------
   Ensemble ensemble1 Euler  74.79 105.47 123.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #164 of 485
   -----------------------------
   Ensemble ensemble1 Euler 135.59  73.40 321.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #165 of 485
   -----------------------------
   Ensemble ensemble1 Euler   4.12  70.10 315.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #166 of 485
   -----------------------------
   Ensemble ensemble1 Euler  64.63  64.65 281.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #167 of 485
   -----------------------------
   Ensemble ensemble1 Euler 237.90  46.82 279.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #168 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.02  75.76 319.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #169 of 485
   -----------------------------
   Ensemble ensemble1 Euler 211.69  68.82 324.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #170 of 485
   -----------------------------
   Ensemble ensemble1 Euler 206.69 105.59 116.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #171 of 485
   -----------------------------
   Ensemble ensemble1 Euler 106.58 141.78 117.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #172 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.00  71.27 285.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #173 of 485
   -----------------------------
   Ensemble ensemble1 Euler  70.64 102.19 129.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #174 of 485
   -----------------------------
   Ensemble ensemble1 Euler 220.97  38.28 290.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #175 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.29  74.08 291.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #176 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.10  38.61 300.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #177 of 485
   -----------------------------
   Ensemble ensemble1 Euler 105.82  67.95 287.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #178 of 485
   -----------------------------
   Ensemble ensemble1 Euler  36.00 118.60 100.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #179 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.67  66.78 326.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #180 of 485
   -----------------------------
   Ensemble ensemble1 Euler  50.82  65.05 281.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #181 of 485
   -----------------------------
   Ensemble ensemble1 Euler 165.80 130.12  96.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #182 of 485
   -----------------------------
   Ensemble ensemble1 Euler 187.97 104.62 130.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #183 of 485
   -----------------------------
   Ensemble ensemble1 Euler 117.98 140.03 107.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #184 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.17 122.67 142.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #185 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.07 110.95 134.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #186 of 485
   -----------------------------
   Ensemble ensemble1 Euler 234.78  37.86 290.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #187 of 485
   -----------------------------
   Ensemble ensemble1 Euler 346.43  42.98 279.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #188 of 485
   -----------------------------
   Ensemble ensemble1 Euler  96.77  42.10 289.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #189 of 485
   -----------------------------
   Ensemble ensemble1 Euler 182.42  71.66 285.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #190 of 485
   -----------------------------
   Ensemble ensemble1 Euler  49.51 109.58 141.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #191 of 485
   -----------------------------
   Ensemble ensemble1 Euler 124.37  41.26 289.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #192 of 485
   -----------------------------
   Ensemble ensemble1 Euler  20.30 106.02 131.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #193 of 485
   -----------------------------
   Ensemble ensemble1 Euler 179.57  39.56 289.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #194 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.13 115.10  99.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #195 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.97 110.61 104.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #196 of 485
   -----------------------------
   Ensemble ensemble1 Euler 319.32 105.97 116.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #197 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.73 120.22 101.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #198 of 485
   -----------------------------
   Ensemble ensemble1 Euler 120.19 140.94 117.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #199 of 485
   -----------------------------
   Ensemble ensemble1 Euler 230.39  67.56 287.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #200 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.65  72.53 314.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #201 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.98  77.71 310.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #202 of 485
   -----------------------------
   Ensemble ensemble1 Euler  64.54 127.81 147.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #203 of 485
   -----------------------------
   Ensemble ensemble1 Euler 231.00  76.19 297.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #204 of 485
   -----------------------------
   Ensemble ensemble1 Euler 170.37 125.43 103.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #205 of 485
   -----------------------------
   Ensemble ensemble1 Euler 200.36  61.99 329.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #206 of 485
   -----------------------------
   Ensemble ensemble1 Euler 348.10  67.75 287.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #207 of 485
   -----------------------------
   Ensemble ensemble1 Euler  96.57 144.58 108.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #208 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.07  76.07 311.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #209 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.14  71.85 285.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #210 of 485
   -----------------------------
   Ensemble ensemble1 Euler 321.72 129.55 148.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #211 of 485
   -----------------------------
   Ensemble ensemble1 Euler 103.18 125.61 145.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #212 of 485
   -----------------------------
   Ensemble ensemble1 Euler 325.49 112.21 105.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #213 of 485
   -----------------------------
   Ensemble ensemble1 Euler 339.73  62.50 329.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #214 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.71  72.37 292.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #215 of 485
   -----------------------------
   Ensemble ensemble1 Euler 171.42  51.27 278.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #216 of 485
   -----------------------------
   Ensemble ensemble1 Euler 347.60 107.19 110.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #217 of 485
   -----------------------------
   Ensemble ensemble1 Euler 193.96 103.49 122.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #218 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.16 143.06 118.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #219 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.26  68.34 286.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #220 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.14  71.18 315.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #221 of 485
   -----------------------------
   Ensemble ensemble1 Euler 113.01 105.65 131.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #222 of 485
   -----------------------------
   Ensemble ensemble1 Euler 147.74 123.17 102.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #223 of 485
   -----------------------------
   Ensemble ensemble1 Euler 251.88  47.04 279.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #224 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.74 105.03 116.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #225 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.53 136.87 106.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #226 of 485
   -----------------------------
   Ensemble ensemble1 Euler 203.40 127.29 146.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #227 of 485
   -----------------------------
   Ensemble ensemble1 Euler 199.38 114.56 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #228 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.42  53.75 328.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #229 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.54  68.15 287.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #230 of 485
   -----------------------------
   Ensemble ensemble1 Euler 310.40 105.58 138.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #231 of 485
   -----------------------------
   Ensemble ensemble1 Euler 111.68 136.03 106.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #232 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.13  54.43 277.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #233 of 485
   -----------------------------
   Ensemble ensemble1 Euler  27.78  44.21 288.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #234 of 485
   -----------------------------
   Ensemble ensemble1 Euler  71.57  70.88 285.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #235 of 485
   -----------------------------
   Ensemble ensemble1 Euler 177.13 106.11 131.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #236 of 485
   -----------------------------
   Ensemble ensemble1 Euler 289.51  63.34 281.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #237 of 485
   -----------------------------
   Ensemble ensemble1 Euler 200.14 102.87 114.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #238 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.77 106.30 131.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #239 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.56  37.37 300.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #240 of 485
   -----------------------------
   Ensemble ensemble1 Euler  71.54  64.45 281.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #241 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.73 124.10 143.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #242 of 485
   -----------------------------
   Ensemble ensemble1 Euler 327.56  69.52 286.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #243 of 485
   -----------------------------
   Ensemble ensemble1 Euler 249.14  73.89 313.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #244 of 485
   -----------------------------
   Ensemble ensemble1 Euler 189.07 103.43 115.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #245 of 485
   -----------------------------
   Ensemble ensemble1 Euler 243.28 141.68 117.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #246 of 485
   -----------------------------
   Ensemble ensemble1 Euler 152.48 103.31 129.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #247 of 485
   -----------------------------
   Ensemble ensemble1 Euler  28.91 137.61 106.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #248 of 485
   -----------------------------
   Ensemble ensemble1 Euler 141.14 114.19 136.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #249 of 485
   -----------------------------
   Ensemble ensemble1 Euler  35.94  54.87 285.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #250 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.37  39.23 299.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #251 of 485
   -----------------------------
   Ensemble ensemble1 Euler  31.15 104.53 130.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #252 of 485
   -----------------------------
   Ensemble ensemble1 Euler 297.97 114.28 136.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #253 of 485
   -----------------------------
   Ensemble ensemble1 Euler  38.32 113.21 105.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #254 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.49  52.90 285.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #255 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.39 122.25 102.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #256 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.56 143.90 118.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #257 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.58  64.76 327.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #258 of 485
   -----------------------------
   Ensemble ensemble1 Euler  12.77  77.86 318.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #259 of 485
   -----------------------------
   Ensemble ensemble1 Euler 223.14 115.29 137.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #260 of 485
   -----------------------------
   Ensemble ensemble1 Euler 347.87  76.56 304.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #261 of 485
   -----------------------------
   Ensemble ensemble1 Euler 196.35  38.41 300.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #262 of 485
   -----------------------------
   Ensemble ensemble1 Euler 292.02 124.50 103.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #263 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.44 114.31 106.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #264 of 485
   -----------------------------
   Ensemble ensemble1 Euler  89.87  42.31 289.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #265 of 485
   -----------------------------
   Ensemble ensemble1 Euler 161.29  61.82 282.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #266 of 485
   -----------------------------
   Ensemble ensemble1 Euler  84.24  64.24 328.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #267 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.14 130.08 104.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #268 of 485
   -----------------------------
   Ensemble ensemble1 Euler  85.78 104.43 123.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #269 of 485
   -----------------------------
   Ensemble ensemble1 Euler 267.24 138.55 107.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #270 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.08 105.09 130.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #271 of 485
   -----------------------------
   Ensemble ensemble1 Euler 312.34 109.19 133.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #272 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.71  72.14 285.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #273 of 485
   -----------------------------
   Ensemble ensemble1 Euler 268.80  63.95 281.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #274 of 485
   -----------------------------
   Ensemble ensemble1 Euler 265.85  47.25 279.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #275 of 485
   -----------------------------
   Ensemble ensemble1 Euler  82.97  42.53 289.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #276 of 485
   -----------------------------
   Ensemble ensemble1 Euler  98.58 101.94 114.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #277 of 485
   -----------------------------
   Ensemble ensemble1 Euler 204.96 102.46 121.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #278 of 485
   -----------------------------
   Ensemble ensemble1 Euler 348.33  75.21 290.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #279 of 485
   -----------------------------
   Ensemble ensemble1 Euler 191.11 106.51 109.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #280 of 485
   -----------------------------
   Ensemble ensemble1 Euler 355.56 121.86 142.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #281 of 485
   -----------------------------
   Ensemble ensemble1 Euler 322.92 108.63 110.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #282 of 485
   -----------------------------
   Ensemble ensemble1 Euler 270.82 128.93 104.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #283 of 485
   -----------------------------
   Ensemble ensemble1 Euler 305.21 111.16 142.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #284 of 485
   -----------------------------
   Ensemble ensemble1 Euler 171.07  35.20 301.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #285 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.44  64.25 281.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #286 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.14 126.87 103.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #287 of 485
   -----------------------------
   Ensemble ensemble1 Euler 250.94 140.24 107.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #288 of 485
   -----------------------------
   Ensemble ensemble1 Euler 181.62  74.71 312.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #289 of 485
   -----------------------------
   Ensemble ensemble1 Euler 182.88  39.64 299.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #290 of 485
   -----------------------------
   Ensemble ensemble1 Euler  14.01  54.01 327.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #291 of 485
   -----------------------------
   Ensemble ensemble1 Euler 276.90 134.38  97.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #292 of 485
   -----------------------------
   Ensemble ensemble1 Euler  10.15  74.50 298.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #293 of 485
   -----------------------------
   Ensemble ensemble1 Euler 194.89 106.77 131.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #294 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.48 122.49 142.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #295 of 485
   -----------------------------
   Ensemble ensemble1 Euler 224.35 107.76 117.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #296 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.28  36.75 301.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #297 of 485
   -----------------------------
   Ensemble ensemble1 Euler  26.42  69.61 286.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #298 of 485
   -----------------------------
   Ensemble ensemble1 Euler  56.89 125.79 145.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #299 of 485
   -----------------------------
   Ensemble ensemble1 Euler 307.83  70.24 308.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #300 of 485
   -----------------------------
   Ensemble ensemble1 Euler 314.72  40.94 289.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #301 of 485
   -----------------------------
   Ensemble ensemble1 Euler 195.78 125.26 144.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #302 of 485
   -----------------------------
   Ensemble ensemble1 Euler 138.17  40.83 289.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #303 of 485
   -----------------------------
   Ensemble ensemble1 Euler 166.21 113.26 143.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #304 of 485
   -----------------------------
   Ensemble ensemble1 Euler 358.55  61.32 282.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #305 of 485
   -----------------------------
   Ensemble ensemble1 Euler 107.35 110.69 119.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #306 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.64  39.85 299.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #307 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.67 142.53 118.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #308 of 485
   -----------------------------
   Ensemble ensemble1 Euler 159.05 124.30 102.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #309 of 485
   -----------------------------
   Ensemble ensemble1 Euler 190.53  44.74 288.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #310 of 485
   -----------------------------
   Ensemble ensemble1 Euler 287.12  41.78 289.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #311 of 485
   -----------------------------
   Ensemble ensemble1 Euler 163.19  72.47 306.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #312 of 485
   -----------------------------
   Ensemble ensemble1 Euler  22.57 133.62 105.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #313 of 485
   -----------------------------
   Ensemble ensemble1 Euler 317.34  99.98 113.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #314 of 485
   -----------------------------
   Ensemble ensemble1 Euler  99.16  63.64 281.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #315 of 485
   -----------------------------
   Ensemble ensemble1 Euler 315.01 119.93 149.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #316 of 485
   -----------------------------
   Ensemble ensemble1 Euler  42.30  43.84 279.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #317 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.71  48.21 287.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #318 of 485
   -----------------------------
   Ensemble ensemble1 Euler 134.28 138.34 106.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #319 of 485
   -----------------------------
   Ensemble ensemble1 Euler 258.13  68.99 324.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #320 of 485
   -----------------------------
   Ensemble ensemble1 Euler 229.08  72.84 306.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #321 of 485
   -----------------------------
   Ensemble ensemble1 Euler 274.59  53.11 285.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #322 of 485
   -----------------------------
   Ensemble ensemble1 Euler 189.62  39.02 300.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #323 of 485
   -----------------------------
   Ensemble ensemble1 Euler 169.65 113.36 136.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #324 of 485
   -----------------------------
   Ensemble ensemble1 Euler  33.29 136.08  97.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #325 of 485
   -----------------------------
   Ensemble ensemble1 Euler  73.53 117.31 138.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #326 of 485
   -----------------------------
   Ensemble ensemble1 Euler 143.07 142.31 118.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #327 of 485
   -----------------------------
   Ensemble ensemble1 Euler 150.57 136.66 106.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #328 of 485
   -----------------------------
   Ensemble ensemble1 Euler 187.27 101.05 121.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #329 of 485
   -----------------------------
   Ensemble ensemble1 Euler 286.19 107.66 117.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #330 of 485
   -----------------------------
   Ensemble ensemble1 Euler 185.42 126.67 146.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #331 of 485
   -----------------------------
   Ensemble ensemble1 Euler 140.53 142.36 107.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #332 of 485
   -----------------------------
   Ensemble ensemble1 Euler 246.46  76.00 297.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #333 of 485
   -----------------------------
   Ensemble ensemble1 Euler 300.92  41.36 289.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #334 of 485
   -----------------------------
   Ensemble ensemble1 Euler 174.28 100.32 127.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #335 of 485
   -----------------------------
   Ensemble ensemble1 Euler 116.50  77.43 311.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #336 of 485
   -----------------------------
   Ensemble ensemble1 Euler 213.33  74.22 298.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #337 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.65  61.52 282.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #338 of 485
   -----------------------------
   Ensemble ensemble1 Euler 306.24 136.36 145.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #339 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.32 138.13 106.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #340 of 485
   -----------------------------
   Ensemble ensemble1 Euler  73.41  33.13 302.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #341 of 485
   -----------------------------
   Ensemble ensemble1 Euler  43.91  65.25 281.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #342 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.76 143.27 118.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #343 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.37 105.40 116.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #344 of 485
   -----------------------------
   Ensemble ensemble1 Euler 157.64  36.44 301.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #345 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.26 104.99 130.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #346 of 485
   -----------------------------
   Ensemble ensemble1 Euler 154.39  62.03 282.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #347 of 485
   -----------------------------
   Ensemble ensemble1 Euler 207.52 108.39 125.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #348 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.41  77.04 296.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #349 of 485
   -----------------------------
   Ensemble ensemble1 Euler  87.51 102.50 114.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #350 of 485
   -----------------------------
   Ensemble ensemble1 Euler 236.50  77.43 311.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #351 of 485
   -----------------------------
   Ensemble ensemble1 Euler  66.71  33.75 302.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #352 of 485
   -----------------------------
   Ensemble ensemble1 Euler 141.61 104.81 130.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #353 of 485
   -----------------------------
   Ensemble ensemble1 Euler 284.29 114.62 106.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #354 of 485
   -----------------------------
   Ensemble ensemble1 Euler 188.92  56.93 276.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #355 of 485
   -----------------------------
   Ensemble ensemble1 Euler 123.16  77.59 318.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #356 of 485
   -----------------------------
   Ensemble ensemble1 Euler 151.97  40.41 289.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #357 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.81 141.76 128.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #358 of 485
   -----------------------------
   Ensemble ensemble1 Euler  21.06 107.59 147.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #359 of 485
   -----------------------------
   Ensemble ensemble1 Euler 202.51 111.51 105.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #360 of 485
   -----------------------------
   Ensemble ensemble1 Euler 216.12  75.81 304.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #361 of 485
   -----------------------------
   Ensemble ensemble1 Euler 349.98 128.77 148.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #362 of 485
   -----------------------------
   Ensemble ensemble1 Euler 249.81  48.42 287.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #363 of 485
   -----------------------------
   Ensemble ensemble1 Euler  15.66 144.65 118.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #364 of 485
   -----------------------------
   Ensemble ensemble1 Euler 280.14 104.62 123.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #365 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.61  63.54 281.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #366 of 485
   -----------------------------
   Ensemble ensemble1 Euler 354.09  75.52 312.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #367 of 485
   -----------------------------
   Ensemble ensemble1 Euler 172.67  39.77 289.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #368 of 485
   -----------------------------
   Ensemble ensemble1 Euler 145.07  40.62 289.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #369 of 485
   -----------------------------
   Ensemble ensemble1 Euler 254.01  54.01 327.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #370 of 485
   -----------------------------
   Ensemble ensemble1 Euler 252.07  71.05 322.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #371 of 485
   -----------------------------
   Ensemble ensemble1 Euler 302.19  52.28 286.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #372 of 485
   -----------------------------
   Ensemble ensemble1 Euler 345.01 139.82 107.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #373 of 485
   -----------------------------
   Ensemble ensemble1 Euler   5.47  77.67 303.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #374 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.42  42.42 289.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #375 of 485
   -----------------------------
   Ensemble ensemble1 Euler 290.63 117.90 100.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #376 of 485
   -----------------------------
   Ensemble ensemble1 Euler 295.29  52.49 286.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #377 of 485
   -----------------------------
   Ensemble ensemble1 Euler  63.54  54.04 285.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #378 of 485
   -----------------------------
   Ensemble ensemble1 Euler 276.19  36.58 290.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #379 of 485
   -----------------------------
   Ensemble ensemble1 Euler 290.14  69.13 308.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #380 of 485
   -----------------------------
   Ensemble ensemble1 Euler  66.89 109.31 141.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #381 of 485
   -----------------------------
   Ensemble ensemble1 Euler 133.81 140.09 117.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #382 of 485
   -----------------------------
   Ensemble ensemble1 Euler 332.46  42.77 279.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #383 of 485
   -----------------------------
   Ensemble ensemble1 Euler 325.56 144.97 119.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #384 of 485
   -----------------------------
   Ensemble ensemble1 Euler 358.50 124.60 103.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #385 of 485
   -----------------------------
   Ensemble ensemble1 Euler 186.89 109.31 141.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #386 of 485
   -----------------------------
   Ensemble ensemble1 Euler 164.35  35.82 301.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #387 of 485
   -----------------------------
   Ensemble ensemble1 Euler 354.95  67.16 287.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #388 of 485
   -----------------------------
   Ensemble ensemble1 Euler 282.40  68.24 287.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #389 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.79  66.57 287.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #390 of 485
   -----------------------------
   Ensemble ensemble1 Euler  76.07  42.74 289.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #391 of 485
   -----------------------------
   Ensemble ensemble1 Euler 224.61 128.97 112.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #392 of 485
   -----------------------------
   Ensemble ensemble1 Euler  25.61  74.31 298.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #393 of 485
   -----------------------------
   Ensemble ensemble1 Euler   2.54 105.37 130.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #394 of 485
   -----------------------------
   Ensemble ensemble1 Euler 251.34  78.04 303.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #395 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.34 106.04 109.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #396 of 485
   -----------------------------
   Ensemble ensemble1 Euler 303.69 128.95 148.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #397 of 485
   -----------------------------
   Ensemble ensemble1 Euler  13.40 103.87 130.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #398 of 485
   -----------------------------
   Ensemble ensemble1 Euler 266.80 107.25 147.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #399 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.26  52.96 277.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #400 of 485
   -----------------------------
   Ensemble ensemble1 Euler 217.84 114.00  98.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #401 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #402 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.71 106.86 131.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #403 of 485
   -----------------------------
   Ensemble ensemble1 Euler 165.77  39.98 289.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #404 of 485
   -----------------------------
   Ensemble ensemble1 Euler  33.27  69.03 286.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #405 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.34 112.51 105.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #406 of 485
   -----------------------------
   Ensemble ensemble1 Euler  52.06 112.41 105.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #407 of 485
   -----------------------------
   Ensemble ensemble1 Euler  39.88  36.23 301.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #408 of 485
   -----------------------------
   Ensemble ensemble1 Euler   1.47  76.40 319.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #409 of 485
   -----------------------------
   Ensemble ensemble1 Euler  43.27 104.75 116.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #410 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.57 110.11 104.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #411 of 485
   -----------------------------
   Ensemble ensemble1 Euler 246.99  53.94 285.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #412 of 485
   -----------------------------
   Ensemble ensemble1 Euler 158.97 114.83 137.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #413 of 485
   -----------------------------
   Ensemble ensemble1 Euler  57.67 120.19 149.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #414 of 485
   -----------------------------
   Ensemble ensemble1 Euler 330.24  75.44 304.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #415 of 485
   -----------------------------
   Ensemble ensemble1 Euler  12.71  70.78 285.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #416 of 485
   -----------------------------
   Ensemble ensemble1 Euler 253.76  64.73 319.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #417 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.05 105.09 123.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #418 of 485
   -----------------------------
   Ensemble ensemble1 Euler 356.88  76.85 296.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #419 of 485
   -----------------------------
   Ensemble ensemble1 Euler 201.86 108.91 133.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #420 of 485
   -----------------------------
   Ensemble ensemble1 Euler  59.16 113.08 135.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #421 of 485
   -----------------------------
   Ensemble ensemble1 Euler 264.37  75.07 305.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #422 of 485
   -----------------------------
   Ensemble ensemble1 Euler 152.41 121.95 142.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #423 of 485
   -----------------------------
   Ensemble ensemble1 Euler 294.02  41.57 289.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #424 of 485
   -----------------------------
   Ensemble ensemble1 Euler 176.24 102.08 121.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #425 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.67 132.99 105.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #426 of 485
   -----------------------------
   Ensemble ensemble1 Euler 312.42 118.50 139.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #427 of 485
   -----------------------------
   Ensemble ensemble1 Euler 269.15 105.66 123.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #428 of 485
   -----------------------------
   Ensemble ensemble1 Euler 218.47 107.35 124.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #429 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.94 123.38 110.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #430 of 485
   -----------------------------
   Ensemble ensemble1 Euler 337.84  61.93 282.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #431 of 485
   -----------------------------
   Ensemble ensemble1 Euler 245.95  73.13 321.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #432 of 485
   -----------------------------
   Ensemble ensemble1 Euler 316.70 135.37 144.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #433 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.49 141.04 117.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #434 of 485
   -----------------------------
   Ensemble ensemble1 Euler 323.02 117.04 138.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #435 of 485
   -----------------------------
   Ensemble ensemble1 Euler 183.64  62.46 312.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #436 of 485
   -----------------------------
   Ensemble ensemble1 Euler 159.88 124.01 143.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #437 of 485
   -----------------------------
   Ensemble ensemble1 Euler 281.99  76.18 304.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #438 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.77 145.06 130.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #439 of 485
   -----------------------------
   Ensemble ensemble1 Euler  57.05 104.06 122.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #440 of 485
   -----------------------------
   Ensemble ensemble1 Euler   7.57 142.14 107.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #441 of 485
   -----------------------------
   Ensemble ensemble1 Euler 343.71  80.99 308.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #442 of 485
   -----------------------------
   Ensemble ensemble1 Euler 179.64  71.23 292.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #443 of 485
   -----------------------------
   Ensemble ensemble1 Euler 231.77  61.73 313.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #444 of 485
   -----------------------------
   Ensemble ensemble1 Euler  46.59  35.61 301.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #445 of 485
   -----------------------------
   Ensemble ensemble1 Euler 328.00  60.25 314.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #446 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.12  39.13 280.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #447 of 485
   -----------------------------
   Ensemble ensemble1 Euler  58.23  37.75 290.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #448 of 485
   -----------------------------
   Ensemble ensemble1 Euler 151.50  74.97 297.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #449 of 485
   -----------------------------
   Ensemble ensemble1 Euler 296.11  39.72 309.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #450 of 485
   -----------------------------
   Ensemble ensemble1 Euler  19.71  38.10 300.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #451 of 485
   -----------------------------
   Ensemble ensemble1 Euler  51.32  37.96 290.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #452 of 485
   -----------------------------
   Ensemble ensemble1 Euler 197.88  74.41 298.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #453 of 485
   -----------------------------
   Ensemble ensemble1 Euler 318.50  42.56 279.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #454 of 485
   -----------------------------
   Ensemble ensemble1 Euler 319.27  70.72 300.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #455 of 485
   -----------------------------
   Ensemble ensemble1 Euler 107.33  67.04 325.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #456 of 485
   -----------------------------
   Ensemble ensemble1 Euler   6.37 142.42 118.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #457 of 485
   -----------------------------
   Ensemble ensemble1 Euler 208.90 111.05 134.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #458 of 485
   -----------------------------
   Ensemble ensemble1 Euler 351.11  58.60 333.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #459 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.43  70.98 285.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #460 of 485
   -----------------------------
   Ensemble ensemble1 Euler 130.52  48.29 323.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #461 of 485
   -----------------------------
   Ensemble ensemble1 Euler 153.28  64.31 311.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #462 of 485
   -----------------------------
   Ensemble ensemble1 Euler 341.43 104.84 116.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #463 of 485
   -----------------------------
   Ensemble ensemble1 Euler 150.92  37.06 300.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #464 of 485
   -----------------------------
   Ensemble ensemble1 Euler  79.54 110.81 104.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #465 of 485
   -----------------------------
   Ensemble ensemble1 Euler  54.33 104.18 115.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #466 of 485
   -----------------------------
   Ensemble ensemble1 Euler 209.80  37.16 300.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #467 of 485
   -----------------------------
   Ensemble ensemble1 Euler 329.52 118.50 100.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #468 of 485
   -----------------------------
   Ensemble ensemble1 Euler 334.86 145.54 108.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #469 of 485
   -----------------------------
   Ensemble ensemble1 Euler  78.79 126.89 111.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #470 of 485
   -----------------------------
   Ensemble ensemble1 Euler 144.87 141.26 127.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #471 of 485
   -----------------------------
   Ensemble ensemble1 Euler  39.33 102.65 122.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #472 of 485
   -----------------------------
   Ensemble ensemble1 Euler 106.06  63.44 281.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #473 of 485
   -----------------------------
   Ensemble ensemble1 Euler  95.77  60.28 331.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #474 of 485
   -----------------------------
   Ensemble ensemble1 Euler 177.82 124.63 144.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #475 of 485
   -----------------------------
   Ensemble ensemble1 Euler 144.19  37.68 300.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #476 of 485
   -----------------------------
   Ensemble ensemble1 Euler 283.30  41.48 308.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #477 of 485
   -----------------------------
   Ensemble ensemble1 Euler 256.09  45.12 326.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #478 of 485
   -----------------------------
   Ensemble ensemble1 Euler 167.44 126.05 145.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #479 of 485
   -----------------------------
   Ensemble ensemble1 Euler  65.13  37.54 290.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #480 of 485
   -----------------------------
   Ensemble ensemble1 Euler 241.77  73.51 291.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #481 of 485
   -----------------------------
   Ensemble ensemble1 Euler 352.77  40.57 299.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #482 of 485
   -----------------------------
   Ensemble ensemble1 Euler 275.55  68.83 286.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #483 of 485
   -----------------------------
   Ensemble ensemble1 Euler 355.52  51.23 294.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #484 of 485
   -----------------------------
   Ensemble ensemble1 Euler  63.08  55.05 277.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #485 of 485
   -----------------------------
   Ensemble ensemble1 Euler 216.52  36.54 301.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

---------------------------------
DEEP TRANSLATION FUNCTION #1 OF 3
---------------------------------

   215 trial orientations in deep search

   Space Group: P 32

   SOLU SET 
   SOLU SPAC P 32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.836  107.986  140.172 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.737   68.016  325.051 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.259   68.638  324.584 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.736  110.106  141.648 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.471   65.108  327.320 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.993   69.907  286.211 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.914   55.286  326.811 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.836  107.986  140.172 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.079  111.949  142.975 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.781  135.400  106.250 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.087  136.554  106.537 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.424  131.428  105.175 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.046  127.487  103.981 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.942   74.849  320.199 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.109  114.039  144.538 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.925  112.007  105.294 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.689   65.985  326.620 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.715   70.066  323.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.079  111.949  142.975 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.929   66.350  280.643 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.652   72.534  314.144 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.500   71.232  322.695 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.068   76.070  311.939 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.560  108.537  132.902 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.721  109.816  104.244 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.559  102.751  129.357 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.743  114.299  144.737 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.123  136.344  106.486 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.559   69.173  324.187 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.859   70.962  322.888 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.053  142.250  107.762 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.417  140.347  107.390 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.785  129.142  104.498 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.217   70.693  323.080 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.667   41.890  289.280 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.431  116.195   99.876 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.423   53.754  328.197 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.184   45.058  288.386 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.316   40.089  289.757 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.110   72.764  321.620 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.733  117.297  100.323 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.913   57.091  325.254 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.096  117.650  147.411 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  115.948  111.309  104.962 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.684  104.247  130.258 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.416   40.301  289.702 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.128   69.126  286.592 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.208   67.396  325.523 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  129.692  110.512  104.580 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.390   68.283  324.850 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.218   73.669  320.998 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.834  105.741  131.167 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.643  111.907  105.247 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.216   39.877  289.812 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.727   64.849  281.294 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.746  135.609  106.303 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  132.608   74.327  305.629 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.551   67.131  325.727 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.139   70.492  285.923 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.359  116.595  100.039 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.854   70.687  285.827 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.694   68.735  286.782 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.640  123.562  143.518 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.354  110.370  141.835 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.360   70.334  323.339 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.071   49.987  286.862 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.170   38.708  290.106 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  247.874  114.113  106.277 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.709   70.102  286.115 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.022   66.549  280.555 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.670  123.581  102.677 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.256  110.711  104.676 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.052  136.764  106.588 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.914   55.286  326.811 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.330  112.473  143.361 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.378  140.558  107.433 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.351   66.249  326.412 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.192   75.395  319.835 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.774  132.366  105.441 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.836   66.150  280.731 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.070   69.798  323.728 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.269   38.921  290.054 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.567   41.679  289.338 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.399  128.417  104.274 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.003  109.916  104.292 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.817   65.259  318.994 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.352   71.592  322.441 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.283   71.076  285.634 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.622  112.608  105.577 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.253   63.845  281.720 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.725  107.763  110.410 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.406  125.221  103.239 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.011  142.462  107.801 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.957   62.333  321.112 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.347   56.832  325.473 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.652   72.534  314.144 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.845  113.518  144.142 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.208  112.107  105.341 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.423   69.529  323.925 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.273  126.759  146.252 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.515   40.513  289.647 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.832   37.992  300.513 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.857  126.406  145.938 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.123  133.306  105.700 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.674  124.722  144.483 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.277   69.712  286.306 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.845   69.321  286.497 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.872  104.999  123.382 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.205  138.764  107.051 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.338  140.770  107.476 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.910   68.905  324.385 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.370  107.667  110.360 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.287  116.996  100.202 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  263.038  118.403  100.760 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.436  134.456  106.007 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.767   73.507  291.576 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.651   71.992  314.490 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.743   65.951  280.818 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.430   44.531  288.539 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.740  125.876  145.472 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.396  127.900  147.290 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.659  119.502  140.349 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.071   38.496  290.159 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.115   66.749  280.467 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.490   55.543  326.585 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.442   51.062  278.406 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.648  139.081  107.121 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.632   74.164  313.119 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.424   70.297  286.019 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.410  104.244  137.682 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.074   37.785  300.608 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.488   74.699  305.413 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  136.036   75.158  297.889 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.615   40.725  289.591 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.880   44.426  288.570 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   24.590  114.012  106.231 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.853  117.130  138.622 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.652  115.077  145.340 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.468  106.611  109.810 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.215  116.110  146.157 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  301.618   74.708  312.780 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.874   38.070  290.263 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.314   63.108  328.972 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.340  112.435  135.410 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.977   68.539  286.877 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.332   75.210  290.671 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.093   45.332  279.539 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.605  113.309  105.905 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.752  129.350  104.561 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.685  119.429  148.923 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.466   41.467  289.394 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.749   41.057  280.068 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.319  128.427   96.255 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.541  128.424  147.780 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.705   63.744  281.763 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.378  114.559  144.937 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.519   67.927  325.118 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  333.723  138.659  107.028 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.546  120.137  140.826 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.082   44.847  288.448 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.788  105.470  123.652 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.587   73.397  321.184 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.120   70.097  315.715 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.632   64.649  281.380 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.904   46.823  279.288 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.024   75.760  319.592 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.693   68.816  324.451 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.690  105.592  116.465 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.578  141.784  117.792 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.997   71.270  285.537 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   70.643  102.189  129.021 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.973   38.283  290.211 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.291   74.075  291.275 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.103   38.612  300.230 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.823   67.950  287.160 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.002  118.604  100.839 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.673   66.778  326.000 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.821   65.050  281.208 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.797  130.120   96.604 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.969  104.620  130.484 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.976  140.030  107.324 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.171  122.665  142.792 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.067  110.953  134.442 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.776   37.857  290.314 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.430   42.983  279.867 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.768   42.102  289.223 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.425   71.658  285.343 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.505  109.577  141.275 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.366   41.255  289.451 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.302  106.021  131.339 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.567   39.558  289.893 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.134  115.098   99.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.974  110.611  104.628 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.323  105.968  116.670 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.725  120.221  101.458 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  120.193  140.937  117.452 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.386   67.558  287.348 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.652   72.534  314.144 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.980   77.706  310.942 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.539  127.813  147.209 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.997   76.192  297.316 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.373  125.426  103.308 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.364   61.988  329.934 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.105   67.754  287.254 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.573  144.582  108.159 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.068   76.070  311.939 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.138   71.852  285.246 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.716  129.554  148.863 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.183  125.610  145.242 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.491  112.207  105.389 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.729   62.504  329.487 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.711   72.368  292.176 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.421   51.273  278.357 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.595  107.187  110.110 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.956  103.493  122.520 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.164  143.055  118.305 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.259   68.343  286.971 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.144   71.179  315.012 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.011  105.648  131.110 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.736  123.172  102.533 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.878   47.036  279.249 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.742  105.028  116.156 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.534  136.870  106.613 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.402  127.287  146.728 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.378  114.559  144.937 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.423   53.754  328.197 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.541   68.147  287.066 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.398  105.584  138.559 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  111.676  136.029  106.408 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.130   54.426  277.546 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.778   44.215  288.631 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.569   70.881  285.730 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.125  106.114  131.396 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  289.515   63.341  281.931 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.137  102.872  114.971 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.772  106.301  131.511 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.557   37.372  300.799 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.538   64.448  281.466 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.729  124.098  143.960 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.561   69.517  286.402 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.137   73.892  313.288 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.074  103.434  115.281 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  243.280  141.678  117.750 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.478  103.312  129.694 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.908  137.606  106.787 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.140  114.190  136.582 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.943   54.867  285.199 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.371   39.231  299.948 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.147  104.527  130.428 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.973  114.282  136.645 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.321  113.209  105.858 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.488   52.900  285.887 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.386  122.254  102.206 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.560  143.904  118.649 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.580   64.759  327.602 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.772   77.863  318.219 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.142  115.295  137.337 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.865   76.555  304.336 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.346   38.405  300.324 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.021  124.502  102.995 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.442  114.314  106.370 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   89.869   42.314  289.165 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.294   61.825  282.553 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.239   64.236  328.030 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.138  130.076  104.780 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.776  104.434  123.058 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.242  138.554  107.004 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.078  105.087  130.768 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.343  109.189  133.313 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.708   72.143  285.099 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.800   63.945  281.678 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  265.853   47.249  279.210 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.970   42.525  289.107 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.583  101.938  114.454 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.965  102.458  121.929 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.332   75.210  290.671 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.114  106.515  109.759 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.564  121.855  142.149 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.925  108.630  110.858 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.818  128.935  104.434 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.212  111.160  142.402 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.065   35.198  301.818 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.443   64.247  281.551 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.144  126.868  103.782 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.937  140.241  107.368 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  181.618   74.708  312.780 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.881   39.644  299.761 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.009   54.009  327.963 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.900  134.376   97.291 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.146   74.499  298.253 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.889  106.767  131.799 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.480  122.485  142.648 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.348  107.757  117.646 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.279   36.751  301.087 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.419   69.614  286.354 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.887  125.788  145.395 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.834   70.242  308.038 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.716   40.937  289.536 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.778  125.256  144.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.166   40.831  289.564 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.214  113.257  143.945 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.553   61.318  282.757 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.346  110.687  119.239 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.635   39.851  299.668 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.669  142.525  118.091 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.054  124.297  102.925 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.532   44.742  288.478 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.117   41.785  289.309 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.188   72.470  306.717 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   22.573  133.619  105.785 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.345   99.981  113.363 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.158   63.643  281.805 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  315.009  119.934  149.365 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.302   43.838  279.758 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.708   48.209  287.430 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.279  138.343  106.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.126   68.994  324.319 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.075   72.842  306.499 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.589   53.108  285.816 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.615   39.025  300.042 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.650  113.359  136.024 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.294  136.085   97.483 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.527  117.313  138.753 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.071  142.313  118.005 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.570  136.659  106.562 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.266  101.048  121.124 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.188  107.663  117.594 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.419  126.671  146.173 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.532  142.356  107.781 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.460   76.004  297.420 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.916   41.361  289.423 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  174.283  100.317  127.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.497   77.434  311.107 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.335   74.217  298.409 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.649   61.521  282.676 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.237  136.355  145.168 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.316  138.132  106.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.405   33.125  302.822 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.915   65.250  281.122 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.763  143.267  118.391 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.374  105.404  116.362 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.638   36.440  301.232 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.256  104.994  130.711 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.391   62.027  282.471 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.517  108.392  125.338 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.413   77.036  296.847 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.515  102.498  114.765 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.497   77.434  311.107 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.709   33.747  302.517 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.612  104.807  130.598 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.294  114.616  106.508 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.916   56.929  276.818 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  123.156   77.588  318.396 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.965   40.407  289.675 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.809  141.765  128.223 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.060  107.593  147.717 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.513  111.508  105.057 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.119   75.813  304.766 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.976  128.773  148.109 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.809   48.419  287.364 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.661  144.647  118.952 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.141  104.622  123.166 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.610   63.542  281.847 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.090   75.525  312.274 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.666   39.770  289.839 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.065   40.619  289.619 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.009   54.009  327.963 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.073   71.052  322.823 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.185   52.278  286.100 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.014  139.819  107.280 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.474   77.669  303.693 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.419   42.419  289.136 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.626  117.900  100.562 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.286   52.485  286.030 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.542   54.040  285.491 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.189   36.579  290.615 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.137   69.128  308.706 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.891  109.312  141.090 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.812  140.091  117.113 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.464   42.769  279.892 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.562  144.966  119.082 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.504  124.605  103.030 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.891  109.312  141.090 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.354   35.819  301.523 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.948   67.164  287.536 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.400   68.245  287.019 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.789   66.574  287.816 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.070   42.737  289.048 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.607  128.968  112.658 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.605   74.311  298.357 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.544  105.368  130.939 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.341   78.040  303.479 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.343  106.036  109.508 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  303.694  128.947  148.276 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.400  103.873  130.032 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.804  107.247  147.457 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.262   52.958  277.938 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.841  114.005   98.956 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.767   73.507  291.576 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.713  106.861  131.856 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.766   39.983  289.785 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.270   69.028  286.640 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.339  112.507  105.530 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.056  112.407  105.483 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.877   36.233  301.329 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.475   76.399  319.171 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.270  104.746  116.002 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.565  110.114  104.388 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.991   53.937  285.528 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.972  114.835  137.021 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.673  120.186  149.588 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.243   75.442  304.981 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.712   70.784  285.778 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.762   64.725  319.372 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.055  105.093  123.436 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.877   76.849  296.951 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.864  108.910  133.136 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.156  113.082  135.839 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  264.366   75.070  305.197 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.409  121.945  142.220 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.017   41.573  289.366 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.243  102.082  121.714 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.674  132.992  105.615 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.422  118.500  139.610 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.155  105.658  123.760 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.474  107.355  124.738 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.937  123.379  110.348 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.843   61.926  282.512 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.955   73.126  321.371 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.700  135.371  144.223 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.491  141.043  117.495 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.016  117.038  138.557 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.635   62.463  312.865 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.880  124.009  143.886 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.993   76.184  304.551 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.769  145.061  130.390 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.047  104.057  122.843 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.574  142.144  107.742 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.715   80.986  308.975 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.644   71.226  292.773 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  231.766   61.725  313.347 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.591   35.612  301.621 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.004   60.252  314.326 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.115   39.128  280.201 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   58.227   37.751  290.340 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.496   74.970  297.993 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.112   39.718  309.951 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.711   38.095  300.466 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.325   37.964  290.288 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.876   74.405  298.305 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.497   42.556  279.917 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.269   70.725  300.338 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.332   67.042  325.795 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.370  142.419  118.048 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.896  111.046  134.502 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.110   58.596  333.041 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.426   70.979  285.682 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.517   48.291  323.465 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.276   64.310  311.679 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.427  104.840  116.054 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.918   37.061  300.942 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.538  110.810  104.724 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.327  104.183  115.693 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.798   37.165  300.894 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.520  118.504  100.800 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.862  145.537  108.301 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.786  126.891  111.809 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.865  141.264  127.911 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.326  102.646  122.036 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.062   63.442  281.889 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.771   60.281  331.459 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.825  124.633  144.408 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.195   37.682  300.656 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.301   41.480  308.807 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.085   45.123  326.431 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.445  126.053  145.627 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.128   37.538  290.390 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.767   73.507  291.576 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.773   40.573  299.344 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.553   68.832  286.735 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.520   51.232  294.689 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.076   55.053  277.370 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.518   36.544  301.183 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.807  137.334  146.143 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.149  142.364  128.603 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.425   63.571  312.150 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.849  135.819  144.649 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.485   77.411  296.638 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.982  126.935  146.410 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER    3.543  103.715  115.436 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.386  103.621  115.384 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.606  119.223  131.908 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  340.996   36.130  301.377 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  137.468   38.302  300.371 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.602   41.914  279.987 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.039   65.420  310.980 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.144  125.235  111.124 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.229   66.968  287.629 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.262  108.769  125.557 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.198  102.938  129.469 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.179  106.695  124.357 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.776   75.213  319.956 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.298  106.552  146.941 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.944   52.452  294.160 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.065  133.929  142.897 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.600   75.253  312.443 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.471  135.281  144.139 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.813   74.643  290.974 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.469  136.444  145.256 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.175  141.995  117.877 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.828   61.357  313.590 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  244.484   47.936  323.782 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.005  136.266  145.081 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.055  118.415  148.052 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.895   64.146  281.593 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.235   35.923  301.474 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.766   54.884  293.101 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.360   56.702  292.304 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.004  126.318  145.860 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.737   38.922  300.089 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.332  113.295  128.230 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.697  109.995  126.273 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.194  134.381  143.306 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.150  128.448  112.447 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.776   62.836  282.140 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.758  142.264  128.539 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.549  107.286  117.389 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.477   49.704  295.351 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.240   72.938  291.876 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.434  106.626  117.030 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.733   51.842  294.425 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.279   77.982  325.659 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.423   38.177  290.237 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.844   75.440  297.733 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.548  138.064  136.112 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.889   60.988  313.834 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.920  102.563  129.245 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.729   42.656  308.069 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.404   58.345  333.284 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.215  114.708  129.085 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.301   34.991  301.917 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.922   75.816  297.524 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.208   45.822  325.749 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   61.986  137.777  146.596 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.499   38.372  321.993 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.578  108.283  148.242 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.179   71.797  292.475 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.593   78.230  317.983 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.947   60.620  314.079 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.668   39.841  320.617 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.449  131.053  113.502 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.164  105.874  116.619 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.724   72.614  299.295 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  338.530  127.514  112.064 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.401  136.801  145.608 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.957  139.191  137.014 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.557  134.921  143.803 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.135   69.810  286.259 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.860   37.959  311.146 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.567   42.128  279.964 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.762  115.462  129.546 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.153   53.061  293.896 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.765  113.247  120.634 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.048  106.204  146.685 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.545   42.434  318.362 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.981   38.715  300.182 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.547  127.199  146.648 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.644   65.702  303.134 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.955  104.559  115.899 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.706  116.403  130.127 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.947  138.252  136.260 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.148   45.472  326.088 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.564   54.277  293.366 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.189  112.226   98.177 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.057  138.463  126.225 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.496  126.788  111.766 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.059  139.764  126.995 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.411  104.246  122.950 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.240   72.938  291.876 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.997   70.589  285.875 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.132  139.264  126.696 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.437   37.475  300.751 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.899   57.137  276.754 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.026   39.657  320.785 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.293  102.966  115.023 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.065  104.807  145.674 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.458  119.047  140.012 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.769   39.013  321.382 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.383   75.628  297.629 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.532  105.498  116.413 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  299.145   66.556  302.655 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.258   51.436  294.601 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   68.799  129.671  121.426 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.844   59.942  331.771 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  359.512   39.954  299.622 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.829  114.520  128.971 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.348  142.085  139.494 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.474  127.977  120.556 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.659   50.790  321.326 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.309   40.026  320.450 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.248   39.335  299.901 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.299  140.619  117.325 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.300   75.680  327.294 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.637  109.657  149.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.058   59.884  314.574 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.930  135.460  144.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.003   39.541  299.808 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.324  143.382  140.694 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.204   49.124  304.289 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.811  140.501  138.106 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.843  140.968  138.506 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.242   73.404  328.984 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.642  117.814  131.010 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.927  125.167  144.860 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   93.329  134.831  143.719 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.684  146.773  119.828 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.298  106.552  146.941 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.509  141.713  139.160 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  288.375  124.900  144.633 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  210.282  123.715  134.905 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.088   63.022  329.045 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  131.367   55.188  292.968 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.240   72.938  291.876 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.140   71.173  285.585 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.629   40.118  320.367 RFZ  2.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.003  119.410  132.029 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.711  132.569  141.702 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.208   45.822  325.749 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.416   74.593  298.201 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.225  122.314  133.946 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.516  134.110  143.060 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.174  139.753  137.477 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.554   57.306  292.038 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.606  140.407  138.026 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.361  127.679  120.404 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.837   55.058  309.388 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.851   70.005  286.163 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.473  129.063  129.791 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.797   42.806  318.054 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.616  142.641  140.001 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.209  119.035  131.787 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.369  109.314  149.039 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.553  139.003  136.862 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.256   54.868  309.507 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.839  133.839  142.816 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.434   43.244  307.707 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.836  144.028  141.316 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.607   49.602  295.395 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.201   65.892  303.027 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.148   50.887  303.319 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.566   70.081  293.368 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.532   42.342  279.941 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.224   53.378  277.829 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.947   35.302  301.769 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.421   42.992  317.901 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.135  125.718   87.918 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.578   40.893  309.183 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.263   46.173  325.413 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.014  135.101  143.970 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.171  136.934  135.238 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.185   80.307  324.071 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.547   48.646  323.151 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.397   41.505  319.147 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.384   54.583  309.686 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.636   54.014  310.046 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.148   45.472  326.088 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.504   50.300  303.640 RFZ  2.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.418   52.970  310.714 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.962   53.973  293.499 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.965   54.773  309.567 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.383   39.473  320.955 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.045   43.179  317.749 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.315   46.524  325.080 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.883   53.445  310.409 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.702   48.450  270.706 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.564  129.073  121.118 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.468   53.634  310.287 RFZ  1.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.771   49.300  270.625 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.052   53.824  310.166 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.848   40.305  309.564 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.540   49.512  270.602 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.407   47.229  324.425 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.147  138.346  136.335 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  118.752   57.762  333.856 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.703  128.575  120.862 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.620   50.360  270.503 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.348  137.970  136.038 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.037   45.472  270.865 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.636  140.874  138.426 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  226.134   43.832  307.349 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.108  128.873  129.670 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.875  134.651  143.553 RFZ  1.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.018   42.068  308.436 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.221   43.832  317.223 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.856   49.712  303.963 RFZ  1.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.521   42.492  270.809 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  222.219   54.204  309.925 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.517   48.291  323.465 RFZ  1.89
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #1 of 3
   0%                                                              100%
   |===============================================================| DONE

   Mean Score (Sigma):       66.71   (19.73)

   SET #1 of 3 TRIAL #486 of 700 (TRIAL #1 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 295.81 137.33 146.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #487 of 700 (TRIAL #2 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  31.15 142.36 128.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #488 of 700 (TRIAL #3 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 201.43  63.57 312.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #489 of 700 (TRIAL #4 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  82.85 135.82 144.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #490 of 700 (TRIAL #5 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 310.48  77.41 296.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #491 of 700 (TRIAL #6 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 295.98 126.94 146.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #492 of 700 (TRIAL #7 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   3.54 103.71 115.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #493 of 700 (TRIAL #8 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  65.39 103.62 115.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #494 of 700 (TRIAL #9 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.61 119.22 131.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #495 of 700 (TRIAL #10 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 341.00  36.13 301.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #496 of 700 (TRIAL #11 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 137.47  38.30 300.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #497 of 700 (TRIAL #12 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 276.60  41.91 279.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #498 of 700 (TRIAL #13 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 171.04  65.42 310.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #499 of 700 (TRIAL #14 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 106.14 125.24 111.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #500 of 700 (TRIAL #15 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 237.23  66.97 287.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #501 of 700 (TRIAL #16 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 236.26 108.77 125.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #502 of 700 (TRIAL #17 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 245.20 102.94 129.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #503 of 700 (TRIAL #18 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 258.18 106.69 124.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #504 of 700 (TRIAL #19 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 239.78  75.21 319.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #505 of 700 (TRIAL #20 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  38.30 106.55 146.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #506 of 700 (TRIAL #21 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 341.94  52.45 294.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #507 of 700 (TRIAL #22 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 201.06 133.93 142.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #508 of 700 (TRIAL #23 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  96.60  75.25 312.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #509 of 700 (TRIAL #24 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 219.47 135.28 144.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #510 of 700 (TRIAL #25 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  32.81  74.64 290.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #511 of 700 (TRIAL #26 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  43.47 136.44 145.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #512 of 700 (TRIAL #27 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 193.17 142.00 117.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #513 of 700 (TRIAL #28 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 345.83  61.36 313.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #514 of 700 (TRIAL #29 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 244.48  47.94 323.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #515 of 700 (TRIAL #30 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 209.01 136.27 145.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #516 of 700 (TRIAL #31 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 179.05 118.41 148.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #517 of 700 (TRIAL #32 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 261.90  64.15 281.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #518 of 700 (TRIAL #33 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 223.23  35.92 301.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #519 of 700 (TRIAL #34 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 314.77  54.88 293.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #520 of 700 (TRIAL #35 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 294.36  56.70 292.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #521 of 700 (TRIAL #36 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 278.00 126.32 145.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #522 of 700 (TRIAL #37 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 130.74  38.92 300.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #523 of 700 (TRIAL #38 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 221.33 113.29 128.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #524 of 700 (TRIAL #39 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  59.70 109.99 126.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #525 of 700 (TRIAL #40 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 327.19 134.38 143.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #526 of 700 (TRIAL #41 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.15 128.45 112.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #527 of 700 (TRIAL #42 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 126.78  62.84 282.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #528 of 700 (TRIAL #43 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler   8.76 142.26 128.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #529 of 700 (TRIAL #44 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 173.55 107.29 117.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #530 of 700 (TRIAL #45 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 192.48  49.70 295.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #531 of 700 (TRIAL #46 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  46.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #532 of 700 (TRIAL #47 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 246.43 106.63 117.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #533 of 700 (TRIAL #48 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 348.73  51.84 294.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #534 of 700 (TRIAL #49 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 149.28  77.98 325.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #535 of 700 (TRIAL #50 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  44.42  38.18 290.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #536 of 700 (TRIAL #51 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 292.84  75.44 297.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #537 of 700 (TRIAL #52 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 302.55 138.06 136.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #538 of 700 (TRIAL #53 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 279.89  60.99 313.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #539 of 700 (TRIAL #54 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 337.92 102.56 129.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #540 of 700 (TRIAL #55 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 194.73  42.66 308.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #541 of 700 (TRIAL #56 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 101.40  58.35 333.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #542 of 700 (TRIAL #57 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 239.21 114.71 129.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #543 of 700 (TRIAL #58 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  53.30  34.99 301.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #544 of 700 (TRIAL #59 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 261.92  75.82 297.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #545 of 700 (TRIAL #60 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  28.21  45.82 325.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #546 of 700 (TRIAL #61 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  61.99 137.78 146.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #547 of 700 (TRIAL #62 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 262.50  38.37 321.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #548 of 700 (TRIAL #63 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 249.58 108.28 148.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #549 of 700 (TRIAL #64 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 255.18  71.80 292.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #550 of 700 (TRIAL #65 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 105.59  78.23 317.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #551 of 700 (TRIAL #66 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 213.95  60.62 314.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #552 of 700 (TRIAL #67 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 139.67  39.84 320.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #553 of 700 (TRIAL #68 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  10.45 131.05 113.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #554 of 700 (TRIAL #69 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  21.16 105.87 116.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #555 of 700 (TRIAL #70 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 164.72  72.61 299.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #556 of 700 (TRIAL #71 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 338.53 127.51 112.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #557 of 700 (TRIAL #72 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  72.40 136.80 145.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #558 of 700 (TRIAL #73 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 280.96 139.19 137.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #559 of 700 (TRIAL #74 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 190.56 134.92 143.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #560 of 700 (TRIAL #75 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 144.14  69.81 286.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #561 of 700 (TRIAL #76 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 308.86  37.96 311.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #562 of 700 (TRIAL #77 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 290.57  42.13 279.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #563 of 700 (TRIAL #78 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 296.76 115.46 129.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #564 of 700 (TRIAL #79 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 335.15  53.06 293.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #565 of 700 (TRIAL #80 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 237.76 113.25 120.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #566 of 700 (TRIAL #81 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 284.05 106.20 146.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #567 of 700 (TRIAL #82 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 284.54  42.43 318.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #568 of 700 (TRIAL #83 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  12.98  38.72 300.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #569 of 700 (TRIAL #84 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  46.55 127.20 146.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #570 of 700 (TRIAL #85 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.64  65.70 303.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #571 of 700 (TRIAL #86 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 166.96 104.56 115.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #572 of 700 (TRIAL #87 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.71 116.40 130.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #573 of 700 (TRIAL #88 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 178.95 138.25 136.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #574 of 700 (TRIAL #89 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 142.15  45.47 326.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #575 of 700 (TRIAL #90 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 321.56  54.28 293.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #576 of 700 (TRIAL #91 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 101.19 112.23  98.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #577 of 700 (TRIAL #92 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 238.06 138.46 126.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #578 of 700 (TRIAL #93 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 215.50 126.79 111.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #579 of 700 (TRIAL #94 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 169.06 139.76 127.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #580 of 700 (TRIAL #95 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 251.41 104.25 122.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #581 of 700 (TRIAL #96 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 166.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #582 of 700 (TRIAL #97 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 255.00  70.59 285.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #583 of 700 (TRIAL #98 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  57.13 139.26 126.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #584 of 700 (TRIAL #99 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  26.44  37.47 300.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #585 of 700 (TRIAL #100 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 202.90  57.14 276.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #586 of 700 (TRIAL #101 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 155.03  39.66 320.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #587 of 700 (TRIAL #102 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 138.29 102.97 115.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #588 of 700 (TRIAL #103 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   7.07 104.81 145.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #589 of 700 (TRIAL #104 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 173.46 119.05 140.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #590 of 700 (TRIAL #105 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  28.77  39.01 321.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #591 of 700 (TRIAL #106 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 277.38  75.63 297.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #592 of 700 (TRIAL #107 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.53 105.50 116.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #593 of 700 (TRIAL #108 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 299.15  66.56 302.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #594 of 700 (TRIAL #109 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 113.26  51.44 294.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #595 of 700 (TRIAL #110 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  68.80 129.67 121.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #596 of 700 (TRIAL #111 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   2.84  59.94 331.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #597 of 700 (TRIAL #112 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 359.51  39.95 299.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #598 of 700 (TRIAL #113 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  44.83 114.52 128.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #599 of 700 (TRIAL #114 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 165.35 142.08 139.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #600 of 700 (TRIAL #115 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  48.47 127.98 120.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #601 of 700 (TRIAL #116 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 232.66  50.79 321.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #602 of 700 (TRIAL #117 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 124.31  40.03 320.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #603 of 700 (TRIAL #118 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   6.25  39.33 299.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #604 of 700 (TRIAL #119 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 170.30 140.62 117.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #605 of 700 (TRIAL #120 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 155.30  75.68 327.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #606 of 700 (TRIAL #121 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 346.64 109.66 149.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #607 of 700 (TRIAL #122 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 262.06  59.88 314.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #608 of 700 (TRIAL #123 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  53.93 135.46 144.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #609 of 700 (TRIAL #124 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 124.00  39.54 299.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #610 of 700 (TRIAL #125 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  20.32 143.38 140.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #611 of 700 (TRIAL #126 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 187.20  49.12 304.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #612 of 700 (TRIAL #127 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 135.81 140.50 138.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #613 of 700 (TRIAL #128 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 186.84 140.97 138.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #614 of 700 (TRIAL #129 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 161.24  73.40 328.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #615 of 700 (TRIAL #130 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 206.64 117.81 131.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #616 of 700 (TRIAL #131 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  38.93 125.17 144.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #617 of 700 (TRIAL #132 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  93.33 134.83 143.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #618 of 700 (TRIAL #133 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 161.68 146.77 119.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #619 of 700 (TRIAL #134 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 218.30 106.55 146.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #620 of 700 (TRIAL #135 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  52.51 141.71 139.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #621 of 700 (TRIAL #136 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 288.37 124.90 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #622 of 700 (TRIAL #137 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 210.28 123.71 134.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #623 of 700 (TRIAL #138 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 119.09  63.02 329.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #624 of 700 (TRIAL #139 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 131.37  55.19 292.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #625 of 700 (TRIAL #140 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 286.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #626 of 700 (TRIAL #141 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 248.14  71.17 285.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #627 of 700 (TRIAL #142 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 296.63  40.12 320.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #628 of 700 (TRIAL #143 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  59.00 119.41 132.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #629 of 700 (TRIAL #144 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.71 132.57 141.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #630 of 700 (TRIAL #145 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 208.21  45.82 325.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #631 of 700 (TRIAL #146 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.42  74.59 298.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #632 of 700 (TRIAL #147 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 192.22 122.31 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #633 of 700 (TRIAL #148 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  35.52 134.11 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #634 of 700 (TRIAL #149 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 270.17 139.75 137.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #635 of 700 (TRIAL #150 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 287.55  57.31 292.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #636 of 700 (TRIAL #151 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 197.61 140.41 138.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #637 of 700 (TRIAL #152 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 341.36 127.68 120.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #638 of 700 (TRIAL #153 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 332.84  55.06 309.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #639 of 700 (TRIAL #154 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 261.85  70.00 286.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #640 of 700 (TRIAL #155 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  54.47 129.06 129.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #641 of 700 (TRIAL #156 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 253.80  42.81 318.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #642 of 700 (TRIAL #157 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 154.62 142.64 140.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #643 of 700 (TRIAL #158 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  30.21 119.03 131.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #644 of 700 (TRIAL #159 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 232.37 109.31 149.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #645 of 700 (TRIAL #160 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  44.55 139.00 136.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #646 of 700 (TRIAL #161 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 348.26  54.87 309.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #647 of 700 (TRIAL #162 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 103.84 133.84 142.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #648 of 700 (TRIAL #163 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 270.43  43.24 307.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #649 of 700 (TRIAL #164 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 307.84 144.03 141.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #650 of 700 (TRIAL #165 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 133.61  49.60 295.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #651 of 700 (TRIAL #166 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 173.20  65.89 303.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #652 of 700 (TRIAL #167 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 294.15  50.89 303.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #653 of 700 (TRIAL #168 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.57  70.08 293.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #654 of 700 (TRIAL #169 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 304.53  42.34 279.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #655 of 700 (TRIAL #170 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 311.22  53.38 277.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #656 of 700 (TRIAL #171 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 229.95  35.30 301.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #657 of 700 (TRIAL #172 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 238.42  42.99 317.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #658 of 700 (TRIAL #173 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 250.13 125.72  87.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #659 of 700 (TRIAL #174 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 207.58  40.89 309.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #660 of 700 (TRIAL #175 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 274.26  46.17 325.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #661 of 700 (TRIAL #176 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  25.01 135.10 143.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #662 of 700 (TRIAL #177 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 324.17 136.93 135.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #663 of 700 (TRIAL #178 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 143.19  80.31 324.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #664 of 700 (TRIAL #179 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 196.55  48.65 323.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #665 of 700 (TRIAL #180 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   1.40  41.51 319.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #666 of 700 (TRIAL #181 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 191.38  54.58 309.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #667 of 700 (TRIAL #182 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 237.64  54.01 310.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #668 of 700 (TRIAL #183 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 322.15  45.47 326.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #669 of 700 (TRIAL #184 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 218.50  50.30 303.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #670 of 700 (TRIAL #185 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 142.42  52.97 310.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #671 of 700 (TRIAL #186 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 144.96  53.97 293.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #672 of 700 (TRIAL #187 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 175.97  54.77 309.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #673 of 700 (TRIAL #188 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 170.38  39.47 320.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #674 of 700 (TRIAL #189 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 223.04  43.18 317.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #675 of 700 (TRIAL #190 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 160.31  46.52 325.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #676 of 700 (TRIAL #191 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 283.88  53.44 310.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #677 of 700 (TRIAL #192 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 145.70  48.45 270.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #678 of 700 (TRIAL #193 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 294.56 129.07 121.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #679 of 700 (TRIAL #194 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.47  53.63 310.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #680 of 700 (TRIAL #195 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  12.77  49.30 270.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #681 of 700 (TRIAL #196 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 253.05  53.82 310.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #682 of 700 (TRIAL #197 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 251.85  40.31 309.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #683 of 700 (TRIAL #198 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 159.54  49.51 270.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #684 of 700 (TRIAL #199 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 292.41  47.23 324.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #685 of 700 (TRIAL #200 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 117.15 138.35 136.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #686 of 700 (TRIAL #201 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 118.75  57.76 333.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #687 of 700 (TRIAL #202 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.70 128.57 120.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #688 of 700 (TRIAL #203 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  26.62  50.36 270.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #689 of 700 (TRIAL #204 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   4.35 137.97 136.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #690 of 700 (TRIAL #205 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 251.04  45.47 270.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #691 of 700 (TRIAL #206 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 248.64 140.87 138.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #692 of 700 (TRIAL #207 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 226.13  43.83 307.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #693 of 700 (TRIAL #208 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 178.11 128.87 129.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #694 of 700 (TRIAL #209 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 258.87 134.65 143.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #695 of 700 (TRIAL #210 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 239.02  42.07 308.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #696 of 700 (TRIAL #211 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 349.22  43.83 317.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #697 of 700 (TRIAL #212 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 262.86  49.71 303.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #698 of 700 (TRIAL #213 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 356.52  42.49 270.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #699 of 700 (TRIAL #214 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 222.22  54.20 309.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #1 of 3 TRIAL #700 of 700 (TRIAL #215 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 310.52  48.29 323.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


---------------------------------
DEEP TRANSLATION FUNCTION #2 OF 3
---------------------------------

   215 trial orientations in deep search

   Space Group: P 31

   SOLU SET 
   SOLU SPAC P 31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.836  107.986  140.172 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.737   68.016  325.051 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.259   68.638  324.584 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.736  110.106  141.648 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.471   65.108  327.320 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.993   69.907  286.211 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.914   55.286  326.811 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.836  107.986  140.172 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.079  111.949  142.975 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.781  135.400  106.250 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.087  136.554  106.537 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.424  131.428  105.175 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.046  127.487  103.981 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.942   74.849  320.199 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.109  114.039  144.538 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.925  112.007  105.294 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.689   65.985  326.620 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.715   70.066  323.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.079  111.949  142.975 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.929   66.350  280.643 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.652   72.534  314.144 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.500   71.232  322.695 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.068   76.070  311.939 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.560  108.537  132.902 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.721  109.816  104.244 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.559  102.751  129.357 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.743  114.299  144.737 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.123  136.344  106.486 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.559   69.173  324.187 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.859   70.962  322.888 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.053  142.250  107.762 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.417  140.347  107.390 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.785  129.142  104.498 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.217   70.693  323.080 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.667   41.890  289.280 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.431  116.195   99.876 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.423   53.754  328.197 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.184   45.058  288.386 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.316   40.089  289.757 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.110   72.764  321.620 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.733  117.297  100.323 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.913   57.091  325.254 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.096  117.650  147.411 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  115.948  111.309  104.962 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.684  104.247  130.258 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.416   40.301  289.702 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.128   69.126  286.592 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.208   67.396  325.523 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  129.692  110.512  104.580 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.390   68.283  324.850 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.218   73.669  320.998 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.834  105.741  131.167 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.643  111.907  105.247 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.216   39.877  289.812 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.727   64.849  281.294 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.746  135.609  106.303 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  132.608   74.327  305.629 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.551   67.131  325.727 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.139   70.492  285.923 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.359  116.595  100.039 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.854   70.687  285.827 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.694   68.735  286.782 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.640  123.562  143.518 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.354  110.370  141.835 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.360   70.334  323.339 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.071   49.987  286.862 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.170   38.708  290.106 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  247.874  114.113  106.277 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.709   70.102  286.115 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.022   66.549  280.555 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.670  123.581  102.677 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.256  110.711  104.676 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.052  136.764  106.588 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.914   55.286  326.811 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.330  112.473  143.361 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.378  140.558  107.433 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.351   66.249  326.412 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.192   75.395  319.835 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.774  132.366  105.441 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.836   66.150  280.731 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.070   69.798  323.728 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.269   38.921  290.054 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.567   41.679  289.338 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.399  128.417  104.274 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.003  109.916  104.292 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.817   65.259  318.994 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.352   71.592  322.441 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.283   71.076  285.634 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.622  112.608  105.577 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.253   63.845  281.720 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.725  107.763  110.410 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.406  125.221  103.239 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.011  142.462  107.801 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.957   62.333  321.112 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.347   56.832  325.473 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.652   72.534  314.144 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.845  113.518  144.142 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.208  112.107  105.341 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.423   69.529  323.925 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.273  126.759  146.252 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.515   40.513  289.647 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.832   37.992  300.513 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.857  126.406  145.938 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.123  133.306  105.700 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.674  124.722  144.483 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.277   69.712  286.306 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.845   69.321  286.497 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.872  104.999  123.382 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.205  138.764  107.051 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.338  140.770  107.476 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.910   68.905  324.385 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.370  107.667  110.360 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.287  116.996  100.202 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  263.038  118.403  100.760 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.436  134.456  106.007 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.767   73.507  291.576 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.651   71.992  314.490 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.743   65.951  280.818 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.430   44.531  288.539 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.740  125.876  145.472 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.396  127.900  147.290 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.659  119.502  140.349 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.071   38.496  290.159 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.115   66.749  280.467 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.490   55.543  326.585 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.442   51.062  278.406 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.648  139.081  107.121 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.632   74.164  313.119 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.424   70.297  286.019 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.410  104.244  137.682 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.074   37.785  300.608 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.488   74.699  305.413 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  136.036   75.158  297.889 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.615   40.725  289.591 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.880   44.426  288.570 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   24.590  114.012  106.231 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.853  117.130  138.622 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.652  115.077  145.340 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.468  106.611  109.810 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.215  116.110  146.157 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  301.618   74.708  312.780 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.874   38.070  290.263 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.314   63.108  328.972 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.340  112.435  135.410 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.977   68.539  286.877 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.332   75.210  290.671 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.093   45.332  279.539 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.605  113.309  105.905 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.752  129.350  104.561 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.685  119.429  148.923 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.466   41.467  289.394 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.749   41.057  280.068 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.319  128.427   96.255 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.541  128.424  147.780 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.705   63.744  281.763 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.378  114.559  144.937 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.519   67.927  325.118 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  333.723  138.659  107.028 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.546  120.137  140.826 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.082   44.847  288.448 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.788  105.470  123.652 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.587   73.397  321.184 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.120   70.097  315.715 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.632   64.649  281.380 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.904   46.823  279.288 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.024   75.760  319.592 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.693   68.816  324.451 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.690  105.592  116.465 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.578  141.784  117.792 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.997   71.270  285.537 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   70.643  102.189  129.021 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.973   38.283  290.211 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.291   74.075  291.275 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.103   38.612  300.230 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.823   67.950  287.160 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.002  118.604  100.839 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.673   66.778  326.000 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.821   65.050  281.208 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.797  130.120   96.604 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.969  104.620  130.484 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.976  140.030  107.324 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.171  122.665  142.792 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.067  110.953  134.442 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.776   37.857  290.314 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.430   42.983  279.867 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.768   42.102  289.223 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.425   71.658  285.343 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.505  109.577  141.275 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.366   41.255  289.451 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.302  106.021  131.339 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.567   39.558  289.893 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.134  115.098   99.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.974  110.611  104.628 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.323  105.968  116.670 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.725  120.221  101.458 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  120.193  140.937  117.452 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.386   67.558  287.348 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.652   72.534  314.144 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.980   77.706  310.942 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.539  127.813  147.209 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.997   76.192  297.316 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.373  125.426  103.308 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.364   61.988  329.934 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.105   67.754  287.254 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.573  144.582  108.159 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.068   76.070  311.939 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.138   71.852  285.246 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.716  129.554  148.863 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.183  125.610  145.242 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.491  112.207  105.389 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.729   62.504  329.487 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.711   72.368  292.176 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.421   51.273  278.357 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.595  107.187  110.110 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.956  103.493  122.520 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.164  143.055  118.305 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.259   68.343  286.971 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.144   71.179  315.012 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.011  105.648  131.110 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.736  123.172  102.533 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.878   47.036  279.249 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.742  105.028  116.156 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.534  136.870  106.613 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.402  127.287  146.728 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.378  114.559  144.937 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.423   53.754  328.197 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.541   68.147  287.066 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.398  105.584  138.559 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  111.676  136.029  106.408 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.130   54.426  277.546 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.778   44.215  288.631 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.569   70.881  285.730 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.125  106.114  131.396 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  289.515   63.341  281.931 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.137  102.872  114.971 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.772  106.301  131.511 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.557   37.372  300.799 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.538   64.448  281.466 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.729  124.098  143.960 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.561   69.517  286.402 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.137   73.892  313.288 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.074  103.434  115.281 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  243.280  141.678  117.750 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.478  103.312  129.694 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.908  137.606  106.787 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.140  114.190  136.582 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.943   54.867  285.199 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.371   39.231  299.948 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.147  104.527  130.428 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.973  114.282  136.645 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.321  113.209  105.858 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.488   52.900  285.887 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.386  122.254  102.206 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.560  143.904  118.649 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.580   64.759  327.602 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.772   77.863  318.219 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.142  115.295  137.337 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.865   76.555  304.336 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.346   38.405  300.324 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.021  124.502  102.995 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.442  114.314  106.370 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   89.869   42.314  289.165 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.294   61.825  282.553 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.239   64.236  328.030 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.138  130.076  104.780 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.776  104.434  123.058 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.242  138.554  107.004 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.078  105.087  130.768 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.343  109.189  133.313 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.708   72.143  285.099 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.800   63.945  281.678 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  265.853   47.249  279.210 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.970   42.525  289.107 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.583  101.938  114.454 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.965  102.458  121.929 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.332   75.210  290.671 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.114  106.515  109.759 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.564  121.855  142.149 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.925  108.630  110.858 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.818  128.935  104.434 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.212  111.160  142.402 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.065   35.198  301.818 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.443   64.247  281.551 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.144  126.868  103.782 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.937  140.241  107.368 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  181.618   74.708  312.780 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.881   39.644  299.761 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.009   54.009  327.963 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.900  134.376   97.291 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.146   74.499  298.253 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.889  106.767  131.799 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.480  122.485  142.648 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.348  107.757  117.646 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.279   36.751  301.087 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.419   69.614  286.354 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.887  125.788  145.395 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.834   70.242  308.038 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.716   40.937  289.536 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.778  125.256  144.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.166   40.831  289.564 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.214  113.257  143.945 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.553   61.318  282.757 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.346  110.687  119.239 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.635   39.851  299.668 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.669  142.525  118.091 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.054  124.297  102.925 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.532   44.742  288.478 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.117   41.785  289.309 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.188   72.470  306.717 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   22.573  133.619  105.785 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.345   99.981  113.363 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.158   63.643  281.805 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  315.009  119.934  149.365 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.302   43.838  279.758 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.708   48.209  287.430 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.279  138.343  106.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.126   68.994  324.319 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.075   72.842  306.499 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.589   53.108  285.816 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.615   39.025  300.042 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.650  113.359  136.024 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.294  136.085   97.483 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.527  117.313  138.753 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.071  142.313  118.005 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.570  136.659  106.562 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.266  101.048  121.124 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.188  107.663  117.594 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.419  126.671  146.173 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.532  142.356  107.781 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.460   76.004  297.420 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.916   41.361  289.423 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  174.283  100.317  127.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.497   77.434  311.107 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.335   74.217  298.409 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.649   61.521  282.676 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.237  136.355  145.168 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.316  138.132  106.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.405   33.125  302.822 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.915   65.250  281.122 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.763  143.267  118.391 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.374  105.404  116.362 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.638   36.440  301.232 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.256  104.994  130.711 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.391   62.027  282.471 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.517  108.392  125.338 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.413   77.036  296.847 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.515  102.498  114.765 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.497   77.434  311.107 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.709   33.747  302.517 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.612  104.807  130.598 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.294  114.616  106.508 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.916   56.929  276.818 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  123.156   77.588  318.396 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.965   40.407  289.675 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.809  141.765  128.223 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.060  107.593  147.717 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.513  111.508  105.057 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.119   75.813  304.766 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.976  128.773  148.109 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.809   48.419  287.364 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.661  144.647  118.952 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.141  104.622  123.166 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.610   63.542  281.847 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.090   75.525  312.274 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.666   39.770  289.839 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.065   40.619  289.619 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.009   54.009  327.963 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.073   71.052  322.823 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.185   52.278  286.100 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.014  139.819  107.280 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.474   77.669  303.693 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.419   42.419  289.136 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.626  117.900  100.562 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.286   52.485  286.030 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.542   54.040  285.491 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.189   36.579  290.615 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.137   69.128  308.706 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.891  109.312  141.090 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.812  140.091  117.113 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.464   42.769  279.892 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.562  144.966  119.082 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.504  124.605  103.030 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.891  109.312  141.090 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.354   35.819  301.523 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.948   67.164  287.536 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.400   68.245  287.019 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.789   66.574  287.816 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.070   42.737  289.048 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.607  128.968  112.658 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.605   74.311  298.357 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.544  105.368  130.939 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.341   78.040  303.479 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.343  106.036  109.508 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  303.694  128.947  148.276 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.400  103.873  130.032 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.804  107.247  147.457 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.262   52.958  277.938 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.841  114.005   98.956 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.767   73.507  291.576 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.713  106.861  131.856 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.766   39.983  289.785 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.270   69.028  286.640 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.339  112.507  105.530 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.056  112.407  105.483 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.877   36.233  301.329 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.475   76.399  319.171 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.270  104.746  116.002 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.565  110.114  104.388 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.991   53.937  285.528 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.972  114.835  137.021 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.673  120.186  149.588 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.243   75.442  304.981 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.712   70.784  285.778 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.762   64.725  319.372 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.055  105.093  123.436 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.877   76.849  296.951 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.864  108.910  133.136 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.156  113.082  135.839 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  264.366   75.070  305.197 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.409  121.945  142.220 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.017   41.573  289.366 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.243  102.082  121.714 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.674  132.992  105.615 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.422  118.500  139.610 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.155  105.658  123.760 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.474  107.355  124.738 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.937  123.379  110.348 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.843   61.926  282.512 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.955   73.126  321.371 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.700  135.371  144.223 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.491  141.043  117.495 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.016  117.038  138.557 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.635   62.463  312.865 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.880  124.009  143.886 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.993   76.184  304.551 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.769  145.061  130.390 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.047  104.057  122.843 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.574  142.144  107.742 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.715   80.986  308.975 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.644   71.226  292.773 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  231.766   61.725  313.347 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.591   35.612  301.621 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.004   60.252  314.326 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.115   39.128  280.201 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   58.227   37.751  290.340 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.496   74.970  297.993 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.112   39.718  309.951 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.711   38.095  300.466 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.325   37.964  290.288 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.876   74.405  298.305 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.497   42.556  279.917 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.269   70.725  300.338 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.332   67.042  325.795 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.370  142.419  118.048 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.896  111.046  134.502 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.110   58.596  333.041 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.426   70.979  285.682 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.517   48.291  323.465 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.276   64.310  311.679 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.427  104.840  116.054 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.918   37.061  300.942 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.538  110.810  104.724 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.327  104.183  115.693 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.798   37.165  300.894 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.520  118.504  100.800 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.862  145.537  108.301 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.786  126.891  111.809 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.865  141.264  127.911 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.326  102.646  122.036 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.062   63.442  281.889 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.771   60.281  331.459 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.825  124.633  144.408 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.195   37.682  300.656 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.301   41.480  308.807 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.085   45.123  326.431 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.445  126.053  145.627 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.128   37.538  290.390 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.767   73.507  291.576 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.773   40.573  299.344 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.553   68.832  286.735 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.520   51.232  294.689 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.076   55.053  277.370 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.518   36.544  301.183 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.807  137.334  146.143 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.149  142.364  128.603 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.425   63.571  312.150 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.849  135.819  144.649 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.485   77.411  296.638 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.982  126.935  146.410 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER    3.543  103.715  115.436 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.386  103.621  115.384 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.606  119.223  131.908 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  340.996   36.130  301.377 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  137.468   38.302  300.371 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.602   41.914  279.987 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.039   65.420  310.980 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.144  125.235  111.124 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.229   66.968  287.629 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.262  108.769  125.557 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.198  102.938  129.469 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.179  106.695  124.357 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.776   75.213  319.956 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.298  106.552  146.941 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.944   52.452  294.160 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.065  133.929  142.897 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.600   75.253  312.443 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.471  135.281  144.139 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.813   74.643  290.974 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.469  136.444  145.256 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.175  141.995  117.877 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.828   61.357  313.590 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  244.484   47.936  323.782 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.005  136.266  145.081 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.055  118.415  148.052 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.895   64.146  281.593 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.235   35.923  301.474 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.766   54.884  293.101 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.360   56.702  292.304 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.004  126.318  145.860 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.737   38.922  300.089 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.332  113.295  128.230 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.697  109.995  126.273 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.194  134.381  143.306 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.150  128.448  112.447 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.776   62.836  282.140 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.758  142.264  128.539 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.549  107.286  117.389 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.477   49.704  295.351 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.240   72.938  291.876 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.434  106.626  117.030 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.733   51.842  294.425 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.279   77.982  325.659 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.423   38.177  290.237 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.844   75.440  297.733 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.548  138.064  136.112 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.889   60.988  313.834 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.920  102.563  129.245 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.729   42.656  308.069 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.404   58.345  333.284 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.215  114.708  129.085 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.301   34.991  301.917 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.922   75.816  297.524 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.208   45.822  325.749 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   61.986  137.777  146.596 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.499   38.372  321.993 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.578  108.283  148.242 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.179   71.797  292.475 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.593   78.230  317.983 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.947   60.620  314.079 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.668   39.841  320.617 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.449  131.053  113.502 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.164  105.874  116.619 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.724   72.614  299.295 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  338.530  127.514  112.064 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.401  136.801  145.608 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.957  139.191  137.014 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.557  134.921  143.803 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.135   69.810  286.259 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.860   37.959  311.146 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.567   42.128  279.964 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.762  115.462  129.546 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.153   53.061  293.896 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.765  113.247  120.634 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.048  106.204  146.685 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.545   42.434  318.362 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.981   38.715  300.182 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.547  127.199  146.648 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.644   65.702  303.134 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.955  104.559  115.899 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.706  116.403  130.127 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.947  138.252  136.260 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.148   45.472  326.088 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.564   54.277  293.366 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.189  112.226   98.177 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.057  138.463  126.225 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.496  126.788  111.766 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.059  139.764  126.995 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.411  104.246  122.950 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.240   72.938  291.876 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.997   70.589  285.875 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.132  139.264  126.696 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.437   37.475  300.751 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.899   57.137  276.754 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.026   39.657  320.785 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.293  102.966  115.023 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.065  104.807  145.674 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.458  119.047  140.012 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.769   39.013  321.382 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.383   75.628  297.629 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.532  105.498  116.413 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  299.145   66.556  302.655 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.258   51.436  294.601 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   68.799  129.671  121.426 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.844   59.942  331.771 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  359.512   39.954  299.622 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.829  114.520  128.971 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.348  142.085  139.494 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.474  127.977  120.556 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.659   50.790  321.326 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.309   40.026  320.450 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.248   39.335  299.901 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.299  140.619  117.325 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.300   75.680  327.294 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.637  109.657  149.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.058   59.884  314.574 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.930  135.460  144.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.003   39.541  299.808 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.324  143.382  140.694 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.204   49.124  304.289 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.811  140.501  138.106 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.843  140.968  138.506 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.242   73.404  328.984 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.642  117.814  131.010 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.927  125.167  144.860 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   93.329  134.831  143.719 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.684  146.773  119.828 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.298  106.552  146.941 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.509  141.713  139.160 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  288.375  124.900  144.633 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  210.282  123.715  134.905 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.088   63.022  329.045 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  131.367   55.188  292.968 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.240   72.938  291.876 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.140   71.173  285.585 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.629   40.118  320.367 RFZ  2.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.003  119.410  132.029 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.711  132.569  141.702 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.208   45.822  325.749 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.416   74.593  298.201 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.225  122.314  133.946 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.516  134.110  143.060 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.174  139.753  137.477 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.554   57.306  292.038 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.606  140.407  138.026 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.361  127.679  120.404 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.837   55.058  309.388 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.851   70.005  286.163 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.473  129.063  129.791 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.797   42.806  318.054 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.616  142.641  140.001 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.209  119.035  131.787 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.369  109.314  149.039 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.553  139.003  136.862 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.256   54.868  309.507 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.839  133.839  142.816 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.434   43.244  307.707 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.836  144.028  141.316 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.607   49.602  295.395 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.201   65.892  303.027 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.148   50.887  303.319 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.566   70.081  293.368 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.532   42.342  279.941 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.224   53.378  277.829 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.947   35.302  301.769 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.421   42.992  317.901 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.135  125.718   87.918 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.578   40.893  309.183 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.263   46.173  325.413 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.014  135.101  143.970 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.171  136.934  135.238 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.185   80.307  324.071 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.547   48.646  323.151 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.397   41.505  319.147 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.384   54.583  309.686 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.636   54.014  310.046 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.148   45.472  326.088 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.504   50.300  303.640 RFZ  2.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.418   52.970  310.714 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.962   53.973  293.499 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.965   54.773  309.567 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.383   39.473  320.955 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.045   43.179  317.749 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.315   46.524  325.080 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.883   53.445  310.409 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.702   48.450  270.706 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.564  129.073  121.118 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.468   53.634  310.287 RFZ  1.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.771   49.300  270.625 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.052   53.824  310.166 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.848   40.305  309.564 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.540   49.512  270.602 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.407   47.229  324.425 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.147  138.346  136.335 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  118.752   57.762  333.856 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.703  128.575  120.862 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.620   50.360  270.503 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.348  137.970  136.038 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.037   45.472  270.865 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.636  140.874  138.426 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  226.134   43.832  307.349 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.108  128.873  129.670 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.875  134.651  143.553 RFZ  1.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.018   42.068  308.436 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.221   43.832  317.223 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.856   49.712  303.963 RFZ  1.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.521   42.492  270.809 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  222.219   54.204  309.925 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.517   48.291  323.465 RFZ  1.89
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #2 of 3
   0%                                                              100%
   |===============================================================| DONE

   Mean Score (Sigma):       67.30   (20.41)

   SET #2 of 3 TRIAL #486 of 700 (TRIAL #1 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 295.81 137.33 146.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #487 of 700 (TRIAL #2 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  31.15 142.36 128.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #488 of 700 (TRIAL #3 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 201.43  63.57 312.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #489 of 700 (TRIAL #4 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  82.85 135.82 144.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #490 of 700 (TRIAL #5 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 310.48  77.41 296.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #491 of 700 (TRIAL #6 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 295.98 126.94 146.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #492 of 700 (TRIAL #7 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   3.54 103.71 115.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #493 of 700 (TRIAL #8 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  65.39 103.62 115.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #494 of 700 (TRIAL #9 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.61 119.22 131.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #495 of 700 (TRIAL #10 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 341.00  36.13 301.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #496 of 700 (TRIAL #11 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 137.47  38.30 300.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #497 of 700 (TRIAL #12 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 276.60  41.91 279.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #498 of 700 (TRIAL #13 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 171.04  65.42 310.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #499 of 700 (TRIAL #14 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 106.14 125.24 111.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #500 of 700 (TRIAL #15 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 237.23  66.97 287.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #501 of 700 (TRIAL #16 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 236.26 108.77 125.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #502 of 700 (TRIAL #17 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 245.20 102.94 129.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #503 of 700 (TRIAL #18 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 258.18 106.69 124.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #504 of 700 (TRIAL #19 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 239.78  75.21 319.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #505 of 700 (TRIAL #20 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  38.30 106.55 146.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #506 of 700 (TRIAL #21 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 341.94  52.45 294.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #507 of 700 (TRIAL #22 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 201.06 133.93 142.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #508 of 700 (TRIAL #23 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  96.60  75.25 312.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #509 of 700 (TRIAL #24 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 219.47 135.28 144.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #510 of 700 (TRIAL #25 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  32.81  74.64 290.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #511 of 700 (TRIAL #26 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  43.47 136.44 145.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #512 of 700 (TRIAL #27 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 193.17 142.00 117.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #513 of 700 (TRIAL #28 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 345.83  61.36 313.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #514 of 700 (TRIAL #29 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 244.48  47.94 323.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #515 of 700 (TRIAL #30 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 209.01 136.27 145.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #516 of 700 (TRIAL #31 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 179.05 118.41 148.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #517 of 700 (TRIAL #32 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 261.90  64.15 281.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #518 of 700 (TRIAL #33 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 223.23  35.92 301.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #519 of 700 (TRIAL #34 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 314.77  54.88 293.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #520 of 700 (TRIAL #35 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 294.36  56.70 292.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #521 of 700 (TRIAL #36 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 278.00 126.32 145.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #522 of 700 (TRIAL #37 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 130.74  38.92 300.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #523 of 700 (TRIAL #38 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 221.33 113.29 128.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #524 of 700 (TRIAL #39 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  59.70 109.99 126.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #525 of 700 (TRIAL #40 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 327.19 134.38 143.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #526 of 700 (TRIAL #41 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.15 128.45 112.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #527 of 700 (TRIAL #42 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 126.78  62.84 282.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #528 of 700 (TRIAL #43 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler   8.76 142.26 128.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #529 of 700 (TRIAL #44 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 173.55 107.29 117.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #530 of 700 (TRIAL #45 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 192.48  49.70 295.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #531 of 700 (TRIAL #46 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  46.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #532 of 700 (TRIAL #47 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 246.43 106.63 117.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #533 of 700 (TRIAL #48 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 348.73  51.84 294.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #534 of 700 (TRIAL #49 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 149.28  77.98 325.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #535 of 700 (TRIAL #50 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  44.42  38.18 290.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #536 of 700 (TRIAL #51 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 292.84  75.44 297.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #537 of 700 (TRIAL #52 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 302.55 138.06 136.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #538 of 700 (TRIAL #53 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 279.89  60.99 313.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #539 of 700 (TRIAL #54 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 337.92 102.56 129.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #540 of 700 (TRIAL #55 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 194.73  42.66 308.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #541 of 700 (TRIAL #56 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 101.40  58.35 333.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #542 of 700 (TRIAL #57 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 239.21 114.71 129.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #543 of 700 (TRIAL #58 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  53.30  34.99 301.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #544 of 700 (TRIAL #59 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 261.92  75.82 297.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #545 of 700 (TRIAL #60 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  28.21  45.82 325.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #546 of 700 (TRIAL #61 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  61.99 137.78 146.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #547 of 700 (TRIAL #62 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 262.50  38.37 321.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #548 of 700 (TRIAL #63 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 249.58 108.28 148.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #549 of 700 (TRIAL #64 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 255.18  71.80 292.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #550 of 700 (TRIAL #65 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 105.59  78.23 317.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #551 of 700 (TRIAL #66 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 213.95  60.62 314.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #552 of 700 (TRIAL #67 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 139.67  39.84 320.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #553 of 700 (TRIAL #68 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  10.45 131.05 113.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #554 of 700 (TRIAL #69 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  21.16 105.87 116.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #555 of 700 (TRIAL #70 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 164.72  72.61 299.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #556 of 700 (TRIAL #71 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 338.53 127.51 112.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #557 of 700 (TRIAL #72 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  72.40 136.80 145.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #558 of 700 (TRIAL #73 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 280.96 139.19 137.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #559 of 700 (TRIAL #74 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 190.56 134.92 143.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #560 of 700 (TRIAL #75 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 144.14  69.81 286.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #561 of 700 (TRIAL #76 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 308.86  37.96 311.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #562 of 700 (TRIAL #77 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 290.57  42.13 279.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #563 of 700 (TRIAL #78 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 296.76 115.46 129.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #564 of 700 (TRIAL #79 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 335.15  53.06 293.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #565 of 700 (TRIAL #80 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 237.76 113.25 120.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #566 of 700 (TRIAL #81 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 284.05 106.20 146.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #567 of 700 (TRIAL #82 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 284.54  42.43 318.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #568 of 700 (TRIAL #83 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  12.98  38.72 300.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #569 of 700 (TRIAL #84 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  46.55 127.20 146.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #570 of 700 (TRIAL #85 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.64  65.70 303.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #571 of 700 (TRIAL #86 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 166.96 104.56 115.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #572 of 700 (TRIAL #87 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.71 116.40 130.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #573 of 700 (TRIAL #88 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 178.95 138.25 136.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #574 of 700 (TRIAL #89 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 142.15  45.47 326.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #575 of 700 (TRIAL #90 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 321.56  54.28 293.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #576 of 700 (TRIAL #91 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 101.19 112.23  98.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #577 of 700 (TRIAL #92 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 238.06 138.46 126.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #578 of 700 (TRIAL #93 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 215.50 126.79 111.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #579 of 700 (TRIAL #94 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 169.06 139.76 127.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #580 of 700 (TRIAL #95 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 251.41 104.25 122.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #581 of 700 (TRIAL #96 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 166.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #582 of 700 (TRIAL #97 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 255.00  70.59 285.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #583 of 700 (TRIAL #98 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  57.13 139.26 126.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #584 of 700 (TRIAL #99 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  26.44  37.47 300.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #585 of 700 (TRIAL #100 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 202.90  57.14 276.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #586 of 700 (TRIAL #101 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 155.03  39.66 320.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #587 of 700 (TRIAL #102 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 138.29 102.97 115.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #588 of 700 (TRIAL #103 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   7.07 104.81 145.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #589 of 700 (TRIAL #104 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 173.46 119.05 140.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #590 of 700 (TRIAL #105 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  28.77  39.01 321.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #591 of 700 (TRIAL #106 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 277.38  75.63 297.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #592 of 700 (TRIAL #107 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.53 105.50 116.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #593 of 700 (TRIAL #108 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 299.15  66.56 302.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #594 of 700 (TRIAL #109 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 113.26  51.44 294.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #595 of 700 (TRIAL #110 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  68.80 129.67 121.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #596 of 700 (TRIAL #111 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   2.84  59.94 331.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #597 of 700 (TRIAL #112 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 359.51  39.95 299.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #598 of 700 (TRIAL #113 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  44.83 114.52 128.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #599 of 700 (TRIAL #114 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 165.35 142.08 139.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #600 of 700 (TRIAL #115 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  48.47 127.98 120.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #601 of 700 (TRIAL #116 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 232.66  50.79 321.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #602 of 700 (TRIAL #117 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 124.31  40.03 320.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #603 of 700 (TRIAL #118 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   6.25  39.33 299.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #604 of 700 (TRIAL #119 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 170.30 140.62 117.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #605 of 700 (TRIAL #120 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 155.30  75.68 327.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #606 of 700 (TRIAL #121 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 346.64 109.66 149.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #607 of 700 (TRIAL #122 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 262.06  59.88 314.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #608 of 700 (TRIAL #123 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  53.93 135.46 144.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #609 of 700 (TRIAL #124 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 124.00  39.54 299.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #610 of 700 (TRIAL #125 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  20.32 143.38 140.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #611 of 700 (TRIAL #126 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 187.20  49.12 304.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #612 of 700 (TRIAL #127 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 135.81 140.50 138.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #613 of 700 (TRIAL #128 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 186.84 140.97 138.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #614 of 700 (TRIAL #129 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 161.24  73.40 328.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #615 of 700 (TRIAL #130 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 206.64 117.81 131.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #616 of 700 (TRIAL #131 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  38.93 125.17 144.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #617 of 700 (TRIAL #132 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  93.33 134.83 143.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #618 of 700 (TRIAL #133 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 161.68 146.77 119.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #619 of 700 (TRIAL #134 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 218.30 106.55 146.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #620 of 700 (TRIAL #135 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  52.51 141.71 139.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #621 of 700 (TRIAL #136 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 288.37 124.90 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #622 of 700 (TRIAL #137 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 210.28 123.71 134.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #623 of 700 (TRIAL #138 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 119.09  63.02 329.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #624 of 700 (TRIAL #139 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 131.37  55.19 292.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #625 of 700 (TRIAL #140 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 286.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #626 of 700 (TRIAL #141 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 248.14  71.17 285.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #627 of 700 (TRIAL #142 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 296.63  40.12 320.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #628 of 700 (TRIAL #143 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  59.00 119.41 132.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #629 of 700 (TRIAL #144 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.71 132.57 141.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #630 of 700 (TRIAL #145 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 208.21  45.82 325.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #631 of 700 (TRIAL #146 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.42  74.59 298.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #632 of 700 (TRIAL #147 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 192.22 122.31 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #633 of 700 (TRIAL #148 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  35.52 134.11 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #634 of 700 (TRIAL #149 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 270.17 139.75 137.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #635 of 700 (TRIAL #150 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 287.55  57.31 292.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #636 of 700 (TRIAL #151 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 197.61 140.41 138.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #637 of 700 (TRIAL #152 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 341.36 127.68 120.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #638 of 700 (TRIAL #153 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 332.84  55.06 309.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #639 of 700 (TRIAL #154 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 261.85  70.00 286.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #640 of 700 (TRIAL #155 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  54.47 129.06 129.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #641 of 700 (TRIAL #156 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 253.80  42.81 318.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #642 of 700 (TRIAL #157 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 154.62 142.64 140.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #643 of 700 (TRIAL #158 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  30.21 119.03 131.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #644 of 700 (TRIAL #159 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 232.37 109.31 149.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #645 of 700 (TRIAL #160 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  44.55 139.00 136.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #646 of 700 (TRIAL #161 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 348.26  54.87 309.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #647 of 700 (TRIAL #162 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 103.84 133.84 142.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #648 of 700 (TRIAL #163 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 270.43  43.24 307.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #649 of 700 (TRIAL #164 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 307.84 144.03 141.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #650 of 700 (TRIAL #165 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 133.61  49.60 295.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #651 of 700 (TRIAL #166 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 173.20  65.89 303.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #652 of 700 (TRIAL #167 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 294.15  50.89 303.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #653 of 700 (TRIAL #168 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.57  70.08 293.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #654 of 700 (TRIAL #169 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 304.53  42.34 279.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #655 of 700 (TRIAL #170 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 311.22  53.38 277.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #656 of 700 (TRIAL #171 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 229.95  35.30 301.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #657 of 700 (TRIAL #172 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 238.42  42.99 317.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #658 of 700 (TRIAL #173 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 250.13 125.72  87.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #659 of 700 (TRIAL #174 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 207.58  40.89 309.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #660 of 700 (TRIAL #175 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 274.26  46.17 325.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #661 of 700 (TRIAL #176 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  25.01 135.10 143.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #662 of 700 (TRIAL #177 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 324.17 136.93 135.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #663 of 700 (TRIAL #178 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 143.19  80.31 324.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #664 of 700 (TRIAL #179 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 196.55  48.65 323.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #665 of 700 (TRIAL #180 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   1.40  41.51 319.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #666 of 700 (TRIAL #181 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 191.38  54.58 309.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #667 of 700 (TRIAL #182 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 237.64  54.01 310.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #668 of 700 (TRIAL #183 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 322.15  45.47 326.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #669 of 700 (TRIAL #184 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 218.50  50.30 303.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #670 of 700 (TRIAL #185 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 142.42  52.97 310.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #671 of 700 (TRIAL #186 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 144.96  53.97 293.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #672 of 700 (TRIAL #187 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 175.97  54.77 309.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #673 of 700 (TRIAL #188 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 170.38  39.47 320.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #674 of 700 (TRIAL #189 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 223.04  43.18 317.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #675 of 700 (TRIAL #190 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 160.31  46.52 325.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #676 of 700 (TRIAL #191 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 283.88  53.44 310.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #677 of 700 (TRIAL #192 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 145.70  48.45 270.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #678 of 700 (TRIAL #193 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 294.56 129.07 121.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #679 of 700 (TRIAL #194 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.47  53.63 310.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #680 of 700 (TRIAL #195 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  12.77  49.30 270.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #681 of 700 (TRIAL #196 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 253.05  53.82 310.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #682 of 700 (TRIAL #197 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 251.85  40.31 309.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #683 of 700 (TRIAL #198 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 159.54  49.51 270.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #684 of 700 (TRIAL #199 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 292.41  47.23 324.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #685 of 700 (TRIAL #200 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 117.15 138.35 136.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #686 of 700 (TRIAL #201 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 118.75  57.76 333.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #687 of 700 (TRIAL #202 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.70 128.57 120.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #688 of 700 (TRIAL #203 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  26.62  50.36 270.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #689 of 700 (TRIAL #204 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   4.35 137.97 136.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #690 of 700 (TRIAL #205 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 251.04  45.47 270.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #691 of 700 (TRIAL #206 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 248.64 140.87 138.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #692 of 700 (TRIAL #207 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 226.13  43.83 307.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #693 of 700 (TRIAL #208 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 178.11 128.87 129.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #694 of 700 (TRIAL #209 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 258.87 134.65 143.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #695 of 700 (TRIAL #210 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 239.02  42.07 308.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #696 of 700 (TRIAL #211 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 349.22  43.83 317.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #697 of 700 (TRIAL #212 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 262.86  49.71 303.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #698 of 700 (TRIAL #213 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 356.52  42.49 270.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #699 of 700 (TRIAL #214 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 222.22  54.20 309.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 3 TRIAL #700 of 700 (TRIAL #215 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 310.52  48.29 323.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


---------------------------------
DEEP TRANSLATION FUNCTION #3 OF 3
---------------------------------

   215 trial orientations in deep search

   Space Group: P 3

   SOLU SET 
   SOLU SPAC P 3
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.836  107.986  140.172 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.737   68.016  325.051 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.259   68.638  324.584 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.736  110.106  141.648 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.471   65.108  327.320 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.993   69.907  286.211 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.914   55.286  326.811 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.836  107.986  140.172 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.079  111.949  142.975 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.781  135.400  106.250 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.087  136.554  106.537 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.424  131.428  105.175 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.046  127.487  103.981 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.942   74.849  320.199 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.109  114.039  144.538 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.925  112.007  105.294 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.689   65.985  326.620 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.715   70.066  323.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.079  111.949  142.975 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.929   66.350  280.643 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.652   72.534  314.144 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.500   71.232  322.695 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.068   76.070  311.939 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.560  108.537  132.902 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.721  109.816  104.244 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.559  102.751  129.357 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.743  114.299  144.737 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.123  136.344  106.486 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.559   69.173  324.187 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.859   70.962  322.888 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.053  142.250  107.762 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.417  140.347  107.390 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.785  129.142  104.498 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.217   70.693  323.080 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.667   41.890  289.280 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.431  116.195   99.876 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.423   53.754  328.197 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.184   45.058  288.386 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.316   40.089  289.757 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.110   72.764  321.620 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.733  117.297  100.323 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.913   57.091  325.254 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.096  117.650  147.411 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  115.948  111.309  104.962 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.684  104.247  130.258 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.416   40.301  289.702 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.128   69.126  286.592 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.208   67.396  325.523 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  129.692  110.512  104.580 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.390   68.283  324.850 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.218   73.669  320.998 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.834  105.741  131.167 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.643  111.907  105.247 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.216   39.877  289.812 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.727   64.849  281.294 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.746  135.609  106.303 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  132.608   74.327  305.629 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.551   67.131  325.727 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.139   70.492  285.923 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.359  116.595  100.039 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.854   70.687  285.827 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.694   68.735  286.782 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.640  123.562  143.518 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.354  110.370  141.835 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.360   70.334  323.339 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.071   49.987  286.862 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.170   38.708  290.106 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  247.874  114.113  106.277 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.709   70.102  286.115 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.022   66.549  280.555 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.670  123.581  102.677 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.256  110.711  104.676 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.052  136.764  106.588 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.914   55.286  326.811 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.330  112.473  143.361 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.378  140.558  107.433 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.351   66.249  326.412 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.192   75.395  319.835 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.774  132.366  105.441 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.836   66.150  280.731 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.070   69.798  323.728 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.269   38.921  290.054 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.567   41.679  289.338 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.399  128.417  104.274 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.003  109.916  104.292 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.817   65.259  318.994 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.352   71.592  322.441 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.283   71.076  285.634 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.622  112.608  105.577 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   92.253   63.845  281.720 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.725  107.763  110.410 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.406  125.221  103.239 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.011  142.462  107.801 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.957   62.333  321.112 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.347   56.832  325.473 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.652   72.534  314.144 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.845  113.518  144.142 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.208  112.107  105.341 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.423   69.529  323.925 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  342.273  126.759  146.252 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.515   40.513  289.647 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  320.832   37.992  300.513 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.857  126.406  145.938 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.123  133.306  105.700 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.674  124.722  144.483 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.277   69.712  286.306 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.845   69.321  286.497 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.872  104.999  123.382 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.347   56.832  325.473 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.205  138.764  107.051 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.338  140.770  107.476 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.910   68.905  324.385 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.370  107.667  110.360 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.287  116.996  100.202 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  263.038  118.403  100.760 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.436  134.456  106.007 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  121.767   73.507  291.576 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.651   71.992  314.490 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.743   65.951  280.818 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.430   44.531  288.539 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.740  125.876  145.472 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.396  127.900  147.290 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.659  119.502  140.349 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.071   38.496  290.159 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.115   66.749  280.467 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.490   55.543  326.585 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.442   51.062  278.406 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.648  139.081  107.121 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.632   74.164  313.119 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.424   70.297  286.019 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.410  104.244  137.682 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.074   37.785  300.608 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.488   74.699  305.413 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  136.036   75.158  297.889 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.615   40.725  289.591 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.880   44.426  288.570 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   24.590  114.012  106.231 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.853  117.130  138.622 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.652  115.077  145.340 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.468  106.611  109.810 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.215  116.110  146.157 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  301.618   74.708  312.780 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.874   38.070  290.263 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.314   63.108  328.972 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.340  112.435  135.410 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.977   68.539  286.877 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.332   75.210  290.671 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.093   45.332  279.539 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.605  113.309  105.905 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.752  129.350  104.561 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.685  119.429  148.923 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.466   41.467  289.394 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.749   41.057  280.068 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.319  128.427   96.255 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.541  128.424  147.780 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.705   63.744  281.763 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.378  114.559  144.937 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.519   67.927  325.118 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  333.723  138.659  107.028 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.546  120.137  140.826 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.082   44.847  288.448 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   74.788  105.470  123.652 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.587   73.397  321.184 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.120   70.097  315.715 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.632   64.649  281.380 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.904   46.823  279.288 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.024   75.760  319.592 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.693   68.816  324.451 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.690  105.592  116.465 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.578  141.784  117.792 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.997   71.270  285.537 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   70.643  102.189  129.021 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  220.973   38.283  290.211 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.291   74.075  291.275 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.103   38.612  300.230 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.823   67.950  287.160 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.002  118.604  100.839 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.673   66.778  326.000 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.821   65.050  281.208 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.797  130.120   96.604 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.969  104.620  130.484 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.976  140.030  107.324 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.171  122.665  142.792 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.067  110.953  134.442 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.776   37.857  290.314 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.430   42.983  279.867 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.768   42.102  289.223 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.425   71.658  285.343 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   49.505  109.577  141.275 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.366   41.255  289.451 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.302  106.021  131.339 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.567   39.558  289.893 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.134  115.098   99.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.974  110.611  104.628 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.323  105.968  116.670 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.725  120.221  101.458 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  120.193  140.937  117.452 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.386   67.558  287.348 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.652   72.534  314.144 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.980   77.706  310.942 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   64.539  127.813  147.209 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  230.997   76.192  297.316 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.373  125.426  103.308 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.364   61.988  329.934 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.105   67.754  287.254 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.573  144.582  108.159 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.068   76.070  311.939 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.138   71.852  285.246 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.716  129.554  148.863 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.183  125.610  145.242 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.491  112.207  105.389 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  339.729   62.504  329.487 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.711   72.368  292.176 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.421   51.273  278.357 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.595  107.187  110.110 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.956  103.493  122.520 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.164  143.055  118.305 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.259   68.343  286.971 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.144   71.179  315.012 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.011  105.648  131.110 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.736  123.172  102.533 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.878   47.036  279.249 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.742  105.028  116.156 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.534  136.870  106.613 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  203.402  127.287  146.728 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  199.378  114.559  144.937 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.423   53.754  328.197 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.541   68.147  287.066 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.398  105.584  138.559 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  111.676  136.029  106.408 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.130   54.426  277.546 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.778   44.215  288.631 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.569   70.881  285.730 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.125  106.114  131.396 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  289.515   63.341  281.931 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.137  102.872  114.971 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.772  106.301  131.511 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.557   37.372  300.799 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   71.538   64.448  281.466 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.729  124.098  143.960 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.561   69.517  286.402 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.137   73.892  313.288 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.074  103.434  115.281 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  243.280  141.678  117.750 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.478  103.312  129.694 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.908  137.606  106.787 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.140  114.190  136.582 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.943   54.867  285.199 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.371   39.231  299.948 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.147  104.527  130.428 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.973  114.282  136.645 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.321  113.209  105.858 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.488   52.900  285.887 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.386  122.254  102.206 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.560  143.904  118.649 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.580   64.759  327.602 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.772   77.863  318.219 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.142  115.295  137.337 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  347.865   76.555  304.336 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.346   38.405  300.324 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.021  124.502  102.995 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.442  114.314  106.370 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   89.869   42.314  289.165 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.294   61.825  282.553 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   84.239   64.236  328.030 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.138  130.076  104.780 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   85.776  104.434  123.058 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.242  138.554  107.004 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.078  105.087  130.768 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.343  109.189  133.313 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.708   72.143  285.099 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.800   63.945  281.678 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  265.853   47.249  279.210 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.970   42.525  289.107 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.583  101.938  114.454 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.965  102.458  121.929 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.332   75.210  290.671 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.114  106.515  109.759 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.564  121.855  142.149 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.925  108.630  110.858 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.818  128.935  104.434 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.212  111.160  142.402 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.065   35.198  301.818 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.443   64.247  281.551 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.144  126.868  103.782 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.937  140.241  107.368 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  181.618   74.708  312.780 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.881   39.644  299.761 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.009   54.009  327.963 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.900  134.376   97.291 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.146   74.499  298.253 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.889  106.767  131.799 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.480  122.485  142.648 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.348  107.757  117.646 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.279   36.751  301.087 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.419   69.614  286.354 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.887  125.788  145.395 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.834   70.242  308.038 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.716   40.937  289.536 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.778  125.256  144.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.166   40.831  289.564 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.214  113.257  143.945 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.553   61.318  282.757 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.346  110.687  119.239 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.635   39.851  299.668 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.669  142.525  118.091 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.054  124.297  102.925 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.532   44.742  288.478 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.117   41.785  289.309 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.188   72.470  306.717 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   22.573  133.619  105.785 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.345   99.981  113.363 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.158   63.643  281.805 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  315.009  119.934  149.365 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.302   43.838  279.758 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.708   48.209  287.430 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.279  138.343  106.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.126   68.994  324.319 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.075   72.842  306.499 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.589   53.108  285.816 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.615   39.025  300.042 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.650  113.359  136.024 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.294  136.085   97.483 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.527  117.313  138.753 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.071  142.313  118.005 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.570  136.659  106.562 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.266  101.048  121.124 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.188  107.663  117.594 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  185.419  126.671  146.173 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.532  142.356  107.781 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.460   76.004  297.420 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  300.916   41.361  289.423 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  174.283  100.317  127.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  116.497   77.434  311.107 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.335   74.217  298.409 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.649   61.521  282.676 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.237  136.355  145.168 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.316  138.132  106.909 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   73.405   33.125  302.822 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.915   65.250  281.122 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.763  143.267  118.391 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.374  105.404  116.362 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  157.638   36.440  301.232 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.256  104.994  130.711 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.391   62.027  282.471 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.517  108.392  125.338 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.413   77.036  296.847 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.515  102.498  114.765 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.497   77.434  311.107 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.709   33.747  302.517 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  141.612  104.807  130.598 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.294  114.616  106.508 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.916   56.929  276.818 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  123.156   77.588  318.396 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.965   40.407  289.675 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.809  141.765  128.223 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.060  107.593  147.717 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.513  111.508  105.057 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.119   75.813  304.766 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.976  128.773  148.109 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.809   48.419  287.364 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.661  144.647  118.952 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.141  104.622  123.166 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.610   63.542  281.847 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.090   75.525  312.274 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.666   39.770  289.839 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.065   40.619  289.619 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.009   54.009  327.963 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  252.073   71.052  322.823 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.185   52.278  286.100 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.014  139.819  107.280 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.474   77.669  303.693 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.419   42.419  289.136 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.626  117.900  100.562 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.286   52.485  286.030 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.542   54.040  285.491 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.189   36.579  290.615 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.137   69.128  308.706 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.891  109.312  141.090 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.812  140.091  117.113 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.464   42.769  279.892 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  325.562  144.966  119.082 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.504  124.605  103.030 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.891  109.312  141.090 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.354   35.819  301.523 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  354.948   67.164  287.536 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  282.400   68.245  287.019 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.789   66.574  287.816 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.070   42.737  289.048 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.607  128.968  112.658 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.605   74.311  298.357 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.544  105.368  130.939 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.341   78.040  303.479 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.343  106.036  109.508 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  303.694  128.947  148.276 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   13.400  103.873  130.032 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.804  107.247  147.457 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.262   52.958  277.938 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  217.841  114.005   98.956 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.767   73.507  291.576 RFZ  2.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.713  106.861  131.856 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.766   39.983  289.785 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.270   69.028  286.640 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.339  112.507  105.530 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.056  112.407  105.483 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.877   36.233  301.329 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.475   76.399  319.171 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.270  104.746  116.002 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.565  110.114  104.388 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.991   53.937  285.528 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.972  114.835  137.021 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.673  120.186  149.588 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  330.243   75.442  304.981 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.712   70.784  285.778 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.762   64.725  319.372 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.055  105.093  123.436 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.877   76.849  296.951 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.864  108.910  133.136 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.156  113.082  135.839 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  264.366   75.070  305.197 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  152.409  121.945  142.220 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.017   41.573  289.366 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.243  102.082  121.714 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.674  132.992  105.615 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.422  118.500  139.610 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.155  105.658  123.760 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.474  107.355  124.738 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.937  123.379  110.348 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.843   61.926  282.512 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.955   73.126  321.371 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  316.700  135.371  144.223 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.491  141.043  117.495 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.016  117.038  138.557 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.635   62.463  312.865 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.880  124.009  143.886 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.993   76.184  304.551 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.769  145.061  130.390 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.047  104.057  122.843 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.574  142.144  107.742 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  343.715   80.986  308.975 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.644   71.226  292.773 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  231.766   61.725  313.347 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.591   35.612  301.621 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.004   60.252  314.326 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.115   39.128  280.201 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   58.227   37.751  290.340 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.496   74.970  297.993 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.112   39.718  309.951 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.711   38.095  300.466 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.325   37.964  290.288 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.876   74.405  298.305 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.497   42.556  279.917 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.269   70.725  300.338 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  107.332   67.042  325.795 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.370  142.419  118.048 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.896  111.046  134.502 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.110   58.596  333.041 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.426   70.979  285.682 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.517   48.291  323.465 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.276   64.310  311.679 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.427  104.840  116.054 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  150.918   37.061  300.942 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.538  110.810  104.724 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.327  104.183  115.693 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.798   37.165  300.894 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.520  118.504  100.800 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.862  145.537  108.301 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   78.786  126.891  111.809 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.865  141.264  127.911 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   39.326  102.646  122.036 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.062   63.442  281.889 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.771   60.281  331.459 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  177.825  124.633  144.408 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.195   37.682  300.656 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.301   41.480  308.807 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  256.085   45.123  326.431 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.445  126.053  145.627 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.128   37.538  290.390 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.767   73.507  291.576 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.773   40.573  299.344 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.553   68.832  286.735 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  355.520   51.232  294.689 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.076   55.053  277.370 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.518   36.544  301.183 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.807  137.334  146.143 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.149  142.364  128.603 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.425   63.571  312.150 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   82.849  135.819  144.649 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.485   77.411  296.638 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.982  126.935  146.410 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER    3.543  103.715  115.436 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.386  103.621  115.384 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.606  119.223  131.908 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  340.996   36.130  301.377 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  137.468   38.302  300.371 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.602   41.914  279.987 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.039   65.420  310.980 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.144  125.235  111.124 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.229   66.968  287.629 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.262  108.769  125.557 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  245.198  102.938  129.469 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.179  106.695  124.357 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.776   75.213  319.956 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.298  106.552  146.941 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.944   52.452  294.160 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.065  133.929  142.897 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   96.600   75.253  312.443 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.471  135.281  144.139 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.813   74.643  290.974 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.469  136.444  145.256 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  193.175  141.995  117.877 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.828   61.357  313.590 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  244.484   47.936  323.782 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.005  136.266  145.081 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  179.055  118.415  148.052 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.895   64.146  281.593 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.235   35.923  301.474 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  314.766   54.884  293.101 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.360   56.702  292.304 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.004  126.318  145.860 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  130.737   38.922  300.089 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.332  113.295  128.230 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.697  109.995  126.273 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  327.194  134.381  143.306 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.150  128.448  112.447 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.776   62.836  282.140 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.758  142.264  128.539 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.549  107.286  117.389 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.477   49.704  295.351 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.240   72.938  291.876 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.434  106.626  117.030 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.733   51.842  294.425 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.279   77.982  325.659 RFZ  2.30
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.423   38.177  290.237 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.844   75.440  297.733 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  302.548  138.064  136.112 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.889   60.988  313.834 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.920  102.563  129.245 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.729   42.656  308.069 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.404   58.345  333.284 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.215  114.708  129.085 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.301   34.991  301.917 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.922   75.816  297.524 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.208   45.822  325.749 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   61.986  137.777  146.596 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.499   38.372  321.993 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  249.578  108.283  148.242 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  255.179   71.797  292.475 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.593   78.230  317.983 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  213.947   60.620  314.079 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.668   39.841  320.617 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.449  131.053  113.502 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.164  105.874  116.619 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  164.724   72.614  299.295 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  338.530  127.514  112.064 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.401  136.801  145.608 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.957  139.191  137.014 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.557  134.921  143.803 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.135   69.810  286.259 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.860   37.959  311.146 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.567   42.128  279.964 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.762  115.462  129.546 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.153   53.061  293.896 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.765  113.247  120.634 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.048  106.204  146.685 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.545   42.434  318.362 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.981   38.715  300.182 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.547  127.199  146.648 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.644   65.702  303.134 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.955  104.559  115.899 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.706  116.403  130.127 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.947  138.252  136.260 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.148   45.472  326.088 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.564   54.277  293.366 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.189  112.226   98.177 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.057  138.463  126.225 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.496  126.788  111.766 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  169.059  139.764  126.995 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.411  104.246  122.950 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  166.240   72.938  291.876 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.997   70.589  285.875 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.132  139.264  126.696 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.437   37.475  300.751 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.899   57.137  276.754 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.026   39.657  320.785 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  138.293  102.966  115.023 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER    7.065  104.807  145.674 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.458  119.047  140.012 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.769   39.013  321.382 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.383   75.628  297.629 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.532  105.498  116.413 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  299.145   66.556  302.655 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.258   51.436  294.601 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   68.799  129.671  121.426 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.844   59.942  331.771 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  359.512   39.954  299.622 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.829  114.520  128.971 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  165.348  142.085  139.494 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   48.474  127.977  120.556 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.659   50.790  321.326 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.309   40.026  320.450 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    6.248   39.335  299.901 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.299  140.619  117.325 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.300   75.680  327.294 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.637  109.657  149.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.058   59.884  314.574 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   53.930  135.460  144.308 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  124.003   39.541  299.808 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.324  143.382  140.694 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.204   49.124  304.289 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.811  140.501  138.106 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.843  140.968  138.506 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.242   73.404  328.984 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.642  117.814  131.010 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.927  125.167  144.860 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   93.329  134.831  143.719 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  161.684  146.773  119.828 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.298  106.552  146.941 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   52.509  141.713  139.160 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  288.375  124.900  144.633 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  210.282  123.715  134.905 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.088   63.022  329.045 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  131.367   55.188  292.968 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  286.240   72.938  291.876 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.140   71.173  285.585 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.629   40.118  320.367 RFZ  2.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   59.003  119.410  132.029 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.711  132.569  141.702 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.208   45.822  325.749 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.416   74.593  298.201 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.225  122.314  133.946 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   35.516  134.110  143.060 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.174  139.753  137.477 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.554   57.306  292.038 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  197.606  140.407  138.026 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.361  127.679  120.404 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  332.837   55.058  309.388 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.851   70.005  286.163 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.473  129.063  129.791 RFZ  2.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.797   42.806  318.054 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.616  142.641  140.001 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.209  119.035  131.787 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  232.369  109.314  149.039 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.553  139.003  136.862 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.256   54.868  309.507 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.839  133.839  142.816 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.434   43.244  307.707 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.836  144.028  141.316 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.607   49.602  295.395 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.201   65.892  303.027 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.148   50.887  303.319 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.566   70.081  293.368 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  304.532   42.342  279.941 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.224   53.378  277.829 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.947   35.302  301.769 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.421   42.992  317.901 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.135  125.718   87.918 RFZ  2.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.578   40.893  309.183 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  274.263   46.173  325.413 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.014  135.101  143.970 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.171  136.934  135.238 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.185   80.307  324.071 RFZ  2.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.547   48.646  323.151 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER    1.397   41.505  319.147 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.384   54.583  309.686 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  237.636   54.014  310.046 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  322.148   45.472  326.088 RFZ  2.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.504   50.300  303.640 RFZ  2.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.418   52.970  310.714 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.962   53.973  293.499 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.965   54.773  309.567 RFZ  2.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.383   39.473  320.955 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  223.045   43.179  317.749 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.315   46.524  325.080 RFZ  2.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.883   53.445  310.409 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.702   48.450  270.706 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.564  129.073  121.118 RFZ  1.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  268.468   53.634  310.287 RFZ  1.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   12.771   49.300  270.625 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.052   53.824  310.166 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.848   40.305  309.564 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.540   49.512  270.602 RFZ  1.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.407   47.229  324.425 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  117.147  138.346  136.335 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  118.752   57.762  333.856 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  182.703  128.575  120.862 RFZ  1.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.620   50.360  270.503 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER    4.348  137.970  136.038 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  251.037   45.472  270.865 RFZ  1.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.636  140.874  138.426 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  226.134   43.832  307.349 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  178.108  128.873  129.670 RFZ  1.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  258.875  134.651  143.553 RFZ  1.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  239.018   42.068  308.436 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.221   43.832  317.223 RFZ  1.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.856   49.712  303.963 RFZ  1.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  356.521   42.492  270.809 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  222.219   54.204  309.925 RFZ  1.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  310.517   48.291  323.465 RFZ  1.89
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #3 of 3
   0%                                                              100%
   |===============================================================| DONE

   Mean Score (Sigma):       67.41   (21.69)

   SET #3 of 3 TRIAL #486 of 700 (TRIAL #1 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 295.81 137.33 146.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #487 of 700 (TRIAL #2 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  31.15 142.36 128.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #488 of 700 (TRIAL #3 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 201.43  63.57 312.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #489 of 700 (TRIAL #4 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  82.85 135.82 144.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #490 of 700 (TRIAL #5 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 310.48  77.41 296.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #491 of 700 (TRIAL #6 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 295.98 126.94 146.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #492 of 700 (TRIAL #7 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   3.54 103.71 115.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #493 of 700 (TRIAL #8 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  65.39 103.62 115.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #494 of 700 (TRIAL #9 of 215 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.61 119.22 131.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #495 of 700 (TRIAL #10 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 341.00  36.13 301.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #496 of 700 (TRIAL #11 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 137.47  38.30 300.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #497 of 700 (TRIAL #12 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 276.60  41.91 279.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #498 of 700 (TRIAL #13 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 171.04  65.42 310.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #499 of 700 (TRIAL #14 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 106.14 125.24 111.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #500 of 700 (TRIAL #15 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 237.23  66.97 287.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #501 of 700 (TRIAL #16 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 236.26 108.77 125.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #502 of 700 (TRIAL #17 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 245.20 102.94 129.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #503 of 700 (TRIAL #18 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 258.18 106.69 124.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #504 of 700 (TRIAL #19 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 239.78  75.21 319.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #505 of 700 (TRIAL #20 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  38.30 106.55 146.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #506 of 700 (TRIAL #21 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 341.94  52.45 294.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #507 of 700 (TRIAL #22 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 201.06 133.93 142.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #508 of 700 (TRIAL #23 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  96.60  75.25 312.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #509 of 700 (TRIAL #24 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 219.47 135.28 144.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #510 of 700 (TRIAL #25 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  32.81  74.64 290.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #511 of 700 (TRIAL #26 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  43.47 136.44 145.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #512 of 700 (TRIAL #27 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 193.17 142.00 117.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #513 of 700 (TRIAL #28 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 345.83  61.36 313.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #514 of 700 (TRIAL #29 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 244.48  47.94 323.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #515 of 700 (TRIAL #30 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 209.01 136.27 145.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #516 of 700 (TRIAL #31 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 179.05 118.41 148.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #517 of 700 (TRIAL #32 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 261.90  64.15 281.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #518 of 700 (TRIAL #33 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 223.23  35.92 301.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #519 of 700 (TRIAL #34 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 314.77  54.88 293.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #520 of 700 (TRIAL #35 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 294.36  56.70 292.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #521 of 700 (TRIAL #36 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 278.00 126.32 145.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #522 of 700 (TRIAL #37 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 130.74  38.92 300.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #523 of 700 (TRIAL #38 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 221.33 113.29 128.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #524 of 700 (TRIAL #39 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  59.70 109.99 126.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #525 of 700 (TRIAL #40 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 327.19 134.38 143.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #526 of 700 (TRIAL #41 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.15 128.45 112.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #527 of 700 (TRIAL #42 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 126.78  62.84 282.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #528 of 700 (TRIAL #43 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler   8.76 142.26 128.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #529 of 700 (TRIAL #44 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 173.55 107.29 117.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #530 of 700 (TRIAL #45 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 192.48  49.70 295.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #531 of 700 (TRIAL #46 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  46.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #532 of 700 (TRIAL #47 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 246.43 106.63 117.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #533 of 700 (TRIAL #48 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 348.73  51.84 294.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #534 of 700 (TRIAL #49 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 149.28  77.98 325.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #535 of 700 (TRIAL #50 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  44.42  38.18 290.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #536 of 700 (TRIAL #51 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 292.84  75.44 297.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #537 of 700 (TRIAL #52 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 302.55 138.06 136.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #538 of 700 (TRIAL #53 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 279.89  60.99 313.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #539 of 700 (TRIAL #54 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 337.92 102.56 129.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #540 of 700 (TRIAL #55 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 194.73  42.66 308.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #541 of 700 (TRIAL #56 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 101.40  58.35 333.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #542 of 700 (TRIAL #57 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 239.21 114.71 129.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #543 of 700 (TRIAL #58 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  53.30  34.99 301.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #544 of 700 (TRIAL #59 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 261.92  75.82 297.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #545 of 700 (TRIAL #60 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  28.21  45.82 325.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #546 of 700 (TRIAL #61 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  61.99 137.78 146.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #547 of 700 (TRIAL #62 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 262.50  38.37 321.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #548 of 700 (TRIAL #63 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 249.58 108.28 148.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #549 of 700 (TRIAL #64 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 255.18  71.80 292.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #550 of 700 (TRIAL #65 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 105.59  78.23 317.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #551 of 700 (TRIAL #66 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 213.95  60.62 314.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #552 of 700 (TRIAL #67 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 139.67  39.84 320.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #553 of 700 (TRIAL #68 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  10.45 131.05 113.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #554 of 700 (TRIAL #69 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  21.16 105.87 116.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #555 of 700 (TRIAL #70 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 164.72  72.61 299.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #556 of 700 (TRIAL #71 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 338.53 127.51 112.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #557 of 700 (TRIAL #72 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  72.40 136.80 145.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #558 of 700 (TRIAL #73 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 280.96 139.19 137.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #559 of 700 (TRIAL #74 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 190.56 134.92 143.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #560 of 700 (TRIAL #75 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 144.14  69.81 286.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #561 of 700 (TRIAL #76 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 308.86  37.96 311.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #562 of 700 (TRIAL #77 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 290.57  42.13 279.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #563 of 700 (TRIAL #78 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 296.76 115.46 129.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #564 of 700 (TRIAL #79 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 335.15  53.06 293.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #565 of 700 (TRIAL #80 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 237.76 113.25 120.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #566 of 700 (TRIAL #81 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 284.05 106.20 146.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #567 of 700 (TRIAL #82 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 284.54  42.43 318.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #568 of 700 (TRIAL #83 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  12.98  38.72 300.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #569 of 700 (TRIAL #84 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  46.55 127.20 146.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #570 of 700 (TRIAL #85 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.64  65.70 303.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #571 of 700 (TRIAL #86 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 166.96 104.56 115.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #572 of 700 (TRIAL #87 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 188.71 116.40 130.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #573 of 700 (TRIAL #88 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 178.95 138.25 136.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #574 of 700 (TRIAL #89 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 142.15  45.47 326.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #575 of 700 (TRIAL #90 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 321.56  54.28 293.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #576 of 700 (TRIAL #91 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 101.19 112.23  98.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #577 of 700 (TRIAL #92 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 238.06 138.46 126.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #578 of 700 (TRIAL #93 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 215.50 126.79 111.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #579 of 700 (TRIAL #94 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 169.06 139.76 127.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #580 of 700 (TRIAL #95 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 251.41 104.25 122.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #581 of 700 (TRIAL #96 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 166.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #582 of 700 (TRIAL #97 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler 255.00  70.59 285.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #583 of 700 (TRIAL #98 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  57.13 139.26 126.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #584 of 700 (TRIAL #99 of 215 deep)
   -----------------------------------------------------
   Ensemble ensemble1 Euler  26.44  37.47 300.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #585 of 700 (TRIAL #100 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 202.90  57.14 276.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #586 of 700 (TRIAL #101 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 155.03  39.66 320.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #587 of 700 (TRIAL #102 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 138.29 102.97 115.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #588 of 700 (TRIAL #103 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   7.07 104.81 145.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #589 of 700 (TRIAL #104 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 173.46 119.05 140.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #590 of 700 (TRIAL #105 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  28.77  39.01 321.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #591 of 700 (TRIAL #106 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 277.38  75.63 297.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #592 of 700 (TRIAL #107 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.53 105.50 116.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #593 of 700 (TRIAL #108 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 299.15  66.56 302.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #594 of 700 (TRIAL #109 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 113.26  51.44 294.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #595 of 700 (TRIAL #110 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  68.80 129.67 121.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #596 of 700 (TRIAL #111 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   2.84  59.94 331.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #597 of 700 (TRIAL #112 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 359.51  39.95 299.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #598 of 700 (TRIAL #113 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  44.83 114.52 128.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #599 of 700 (TRIAL #114 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 165.35 142.08 139.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #600 of 700 (TRIAL #115 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  48.47 127.98 120.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #601 of 700 (TRIAL #116 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 232.66  50.79 321.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #602 of 700 (TRIAL #117 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 124.31  40.03 320.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #603 of 700 (TRIAL #118 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   6.25  39.33 299.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #604 of 700 (TRIAL #119 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 170.30 140.62 117.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #605 of 700 (TRIAL #120 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 155.30  75.68 327.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #606 of 700 (TRIAL #121 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 346.64 109.66 149.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #607 of 700 (TRIAL #122 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 262.06  59.88 314.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #608 of 700 (TRIAL #123 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  53.93 135.46 144.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #609 of 700 (TRIAL #124 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 124.00  39.54 299.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #610 of 700 (TRIAL #125 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  20.32 143.38 140.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #611 of 700 (TRIAL #126 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 187.20  49.12 304.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #612 of 700 (TRIAL #127 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 135.81 140.50 138.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #613 of 700 (TRIAL #128 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 186.84 140.97 138.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #614 of 700 (TRIAL #129 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 161.24  73.40 328.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #615 of 700 (TRIAL #130 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 206.64 117.81 131.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #616 of 700 (TRIAL #131 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  38.93 125.17 144.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #617 of 700 (TRIAL #132 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  93.33 134.83 143.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #618 of 700 (TRIAL #133 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 161.68 146.77 119.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #619 of 700 (TRIAL #134 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 218.30 106.55 146.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #620 of 700 (TRIAL #135 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  52.51 141.71 139.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #621 of 700 (TRIAL #136 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 288.37 124.90 144.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #622 of 700 (TRIAL #137 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 210.28 123.71 134.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #623 of 700 (TRIAL #138 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 119.09  63.02 329.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #624 of 700 (TRIAL #139 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 131.37  55.19 292.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #625 of 700 (TRIAL #140 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 286.24  72.94 291.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #626 of 700 (TRIAL #141 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 248.14  71.17 285.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #627 of 700 (TRIAL #142 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 296.63  40.12 320.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #628 of 700 (TRIAL #143 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  59.00 119.41 132.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #629 of 700 (TRIAL #144 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.71 132.57 141.70 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #630 of 700 (TRIAL #145 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 208.21  45.82 325.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #631 of 700 (TRIAL #146 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.42  74.59 298.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #632 of 700 (TRIAL #147 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 192.22 122.31 133.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #633 of 700 (TRIAL #148 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  35.52 134.11 143.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #634 of 700 (TRIAL #149 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 270.17 139.75 137.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #635 of 700 (TRIAL #150 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 287.55  57.31 292.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #636 of 700 (TRIAL #151 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 197.61 140.41 138.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #637 of 700 (TRIAL #152 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 341.36 127.68 120.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #638 of 700 (TRIAL #153 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 332.84  55.06 309.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #639 of 700 (TRIAL #154 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 261.85  70.00 286.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #640 of 700 (TRIAL #155 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  54.47 129.06 129.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #641 of 700 (TRIAL #156 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 253.80  42.81 318.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #642 of 700 (TRIAL #157 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 154.62 142.64 140.00 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #643 of 700 (TRIAL #158 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  30.21 119.03 131.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #644 of 700 (TRIAL #159 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 232.37 109.31 149.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #645 of 700 (TRIAL #160 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  44.55 139.00 136.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #646 of 700 (TRIAL #161 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 348.26  54.87 309.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #647 of 700 (TRIAL #162 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 103.84 133.84 142.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #648 of 700 (TRIAL #163 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 270.43  43.24 307.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #649 of 700 (TRIAL #164 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 307.84 144.03 141.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #650 of 700 (TRIAL #165 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 133.61  49.60 295.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #651 of 700 (TRIAL #166 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 173.20  65.89 303.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #652 of 700 (TRIAL #167 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 294.15  50.89 303.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #653 of 700 (TRIAL #168 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.57  70.08 293.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #654 of 700 (TRIAL #169 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 304.53  42.34 279.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #655 of 700 (TRIAL #170 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 311.22  53.38 277.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #656 of 700 (TRIAL #171 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 229.95  35.30 301.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #657 of 700 (TRIAL #172 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 238.42  42.99 317.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #658 of 700 (TRIAL #173 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 250.13 125.72  87.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #659 of 700 (TRIAL #174 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 207.58  40.89 309.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #660 of 700 (TRIAL #175 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 274.26  46.17 325.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #661 of 700 (TRIAL #176 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  25.01 135.10 143.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #662 of 700 (TRIAL #177 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 324.17 136.93 135.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #663 of 700 (TRIAL #178 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 143.19  80.31 324.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #664 of 700 (TRIAL #179 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 196.55  48.65 323.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #665 of 700 (TRIAL #180 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   1.40  41.51 319.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #666 of 700 (TRIAL #181 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 191.38  54.58 309.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #667 of 700 (TRIAL #182 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 237.64  54.01 310.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #668 of 700 (TRIAL #183 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 322.15  45.47 326.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #669 of 700 (TRIAL #184 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 218.50  50.30 303.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #670 of 700 (TRIAL #185 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 142.42  52.97 310.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #671 of 700 (TRIAL #186 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 144.96  53.97 293.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #672 of 700 (TRIAL #187 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 175.97  54.77 309.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #673 of 700 (TRIAL #188 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 170.38  39.47 320.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #674 of 700 (TRIAL #189 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 223.04  43.18 317.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #675 of 700 (TRIAL #190 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 160.31  46.52 325.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #676 of 700 (TRIAL #191 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 283.88  53.44 310.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #677 of 700 (TRIAL #192 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 145.70  48.45 270.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #678 of 700 (TRIAL #193 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 294.56 129.07 121.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #679 of 700 (TRIAL #194 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 268.47  53.63 310.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #680 of 700 (TRIAL #195 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  12.77  49.30 270.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #681 of 700 (TRIAL #196 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 253.05  53.82 310.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #682 of 700 (TRIAL #197 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 251.85  40.31 309.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #683 of 700 (TRIAL #198 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 159.54  49.51 270.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #684 of 700 (TRIAL #199 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 292.41  47.23 324.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #685 of 700 (TRIAL #200 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 117.15 138.35 136.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #686 of 700 (TRIAL #201 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 118.75  57.76 333.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #687 of 700 (TRIAL #202 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 182.70 128.57 120.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #688 of 700 (TRIAL #203 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler  26.62  50.36 270.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #689 of 700 (TRIAL #204 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler   4.35 137.97 136.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #690 of 700 (TRIAL #205 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 251.04  45.47 270.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #691 of 700 (TRIAL #206 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 248.64 140.87 138.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #692 of 700 (TRIAL #207 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 226.13  43.83 307.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #693 of 700 (TRIAL #208 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 178.11 128.87 129.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #694 of 700 (TRIAL #209 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 258.87 134.65 143.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #695 of 700 (TRIAL #210 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 239.02  42.07 308.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #696 of 700 (TRIAL #211 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 349.22  43.83 317.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #697 of 700 (TRIAL #212 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 262.86  49.71 303.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #698 of 700 (TRIAL #213 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 356.52  42.49 270.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #699 of 700 (TRIAL #214 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 222.22  54.20 309.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 3 TRIAL #700 of 700 (TRIAL #215 of 215 deep)
   ------------------------------------------------------
   Ensemble ensemble1 Euler 310.52  48.29 323.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 213.72 (TFZ=3.4)
   Current Top (ML) Translation Function LLG = 168.97 (TFZ=4.7)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) Ensemble SpaceGroup 
     1   1      150.1  2.75      149.9  2.65      149.3  2.30 ensemble P 32       
     1   2      144.5  3.56      144.2  2.99      144.0  3.09 ensemble P 32       
     1   3          -     -          -     -          -     - ensemble P 32       
     1   4          -     -          -     -          -     - ensemble P 32       
     1   5      141.2  3.44      138.9  3.12      138.7  3.14 ensemble P 32       
     1   6      136.6  3.61      131.2  3.31          -     - ensemble P 32       
     1   7          -     -          -     -          -     - ensemble P 32       
     1   8      134.1  3.46          -     -          -     - ensemble P 32       
     1   9          -     -          -     -          -     - ensemble P 32       
     1  10      132.7  3.54          -     -          -     - ensemble P 32       
     1  11          -     -          -     -          -     - ensemble P 32       
     1  12          -     -          -     -          -     - ensemble P 32       
     1  13          -     -          -     -          -     - ensemble P 32       
     1  14          -     -          -     -          -     - ensemble P 32       
     1  15          -     -          -     -          -     - ensemble P 32       
     1  16          -     -          -     -          -     - ensemble P 32       
     1  17          -     -          -     -          -     - ensemble P 32       
     1  18          -     -          -     -          -     - ensemble P 32       
     1  19          -     -          -     -          -     - ensemble P 32       
     1  20          -     -          -     -          -     - ensemble P 32       
     1  21          -     -          -     -          -     - ensemble P 32       
     1  22          -     -          -     -          -     - ensemble P 32       
     1  23          -     -          -     -          -     - ensemble P 32       
     1  24          -     -          -     -          -     - ensemble P 32       
     1  25      129.5  3.91          -     -          -     - ensemble P 32       
     1  26          -     -          -     -          -     - ensemble P 32       
     1  27          -     -          -     -          -     - ensemble P 32       
     1  28          -     -          -     -          -     - ensemble P 32       
     1  29          -     -          -     -          -     - ensemble P 32       
     1  30          -     -          -     -          -     - ensemble P 32       
     1  31          -     -          -     -          -     - ensemble P 32       
     1  32          -     -          -     -          -     - ensemble P 32       
     1  33          -     -          -     -          -     - ensemble P 32       
     1  34          -     -          -     -          -     - ensemble P 32       
     1  35          -     -          -     -          -     - ensemble P 32       
     1  36          -     -          -     -          -     - ensemble P 32       
     1  37          -     -          -     -          -     - ensemble P 32       
     1  38          -     -          -     -          -     - ensemble P 32       
     1  39          -     -          -     -          -     - ensemble P 32       
     1  40          -     -          -     -          -     - ensemble P 32       
     1  41          -     -          -     -          -     - ensemble P 32       
     1  42          -     -          -     -          -     - ensemble P 32       
     1  43          -     -          -     -          -     - ensemble P 32       
     1  44          -     -          -     -          -     - ensemble P 32       
     1  45          -     -          -     -          -     - ensemble P 32       
     1  46          -     -          -     -          -     - ensemble P 32       
     1  47          -     -          -     -          -     - ensemble P 32       
     1  48          -     -          -     -          -     - ensemble P 32       
     1  49          -     -          -     -          -     - ensemble P 32       
     1  50          -     -          -     -          -     - ensemble P 32       
     1  51          -     -          -     -          -     - ensemble P 32       
     1  52          -     -          -     -          -     - ensemble P 32       
     1  53          -     -          -     -          -     - ensemble P 32       
     1  54          -     -          -     -          -     - ensemble P 32       
     1  55          -     -          -     -          -     - ensemble P 32       
     1  56          -     -          -     -          -     - ensemble P 32       
     1  57          -     -          -     -          -     - ensemble P 32       
     1  58          -     -          -     -          -     - ensemble P 32       
     1  59          -     -          -     -          -     - ensemble P 32       
     1  60          -     -          -     -          -     - ensemble P 32       
     1  61          -     -          -     -          -     - ensemble P 32       
     1  62      130.9  4.25          -     -          -     - ensemble P 32       
     1  63          -     -          -     -          -     - ensemble P 32       
     1  64          -     -          -     -          -     - ensemble P 32       
     1  65          -     -          -     -          -     - ensemble P 32       
     1  66          -     -          -     -          -     - ensemble P 32       
     1  67          -     -          -     -          -     - ensemble P 32       
     1  68          -     -          -     -          -     - ensemble P 32       
     1  69          -     -          -     -          -     - ensemble P 32       
     1  70          -     -          -     -          -     - ensemble P 32       
     1  71          -     -          -     -          -     - ensemble P 32       
     1  72          -     -          -     -          -     - ensemble P 32       
     1  73          -     -          -     -          -     - ensemble P 32       
     1  74          -     -          -     -          -     - ensemble P 32       
     1  75          -     -          -     -          -     - ensemble P 32       
     1  76          -     -          -     -          -     - ensemble P 32       
     1  77          -     -          -     -          -     - ensemble P 32       
     1  78          -     -          -     -          -     - ensemble P 32       
     1  79          -     -          -     -          -     - ensemble P 32       
     1  80          -     -          -     -          -     - ensemble P 32       
     1  81          -     -          -     -          -     - ensemble P 32       
     1  82          -     -          -     -          -     - ensemble P 32       
     1  83          -     -          -     -          -     - ensemble P 32       
     1  84          -     -          -     -          -     - ensemble P 32       
     1  85          -     -          -     -          -     - ensemble P 32       
     1  86          -     -          -     -          -     - ensemble P 32       
     1  87          -     -          -     -          -     - ensemble P 32       
     1  88          -     -          -     -          -     - ensemble P 32       
     1  89          -     -          -     -          -     - ensemble P 32       
     1  90          -     -          -     -          -     - ensemble P 32       
     1  91          -     -          -     -          -     - ensemble P 32       
     1  92          -     -          -     -          -     - ensemble P 32       
     1  93          -     -          -     -          -     - ensemble P 32       
     1  94          -     -          -     -          -     - ensemble P 32       
     1  95          -     -          -     -          -     - ensemble P 32       
     1  96          -     -          -     -          -     - ensemble P 32       
     1  97          -     -          -     -          -     - ensemble P 32       
     1  98          -     -          -     -          -     - ensemble P 32       
     1  99          -     -          -     -          -     - ensemble P 32       
     1 100          -     -          -     -          -     - ensemble P 32       
     1 101          -     -          -     -          -     - ensemble P 32       
     1 102          -     -          -     -          -     - ensemble P 32       
     1 103          -     -          -     -          -     - ensemble P 32       
     1 104          -     -          -     -          -     - ensemble P 32       
     1 105          -     -          -     -          -     - ensemble P 32       
     1 106          -     -          -     -          -     - ensemble P 32       
     1 107          -     -          -     -          -     - ensemble P 32       
     1 108          -     -          -     -          -     - ensemble P 32       
     1 109          -     -          -     -          -     - ensemble P 32       
     1 110          -     -          -     -          -     - ensemble P 32       
     1 111          -     -          -     -          -     - ensemble P 32       
     1 112          -     -          -     -          -     - ensemble P 32       
     1 113          -     -          -     -          -     - ensemble P 32       
     1 114          -     -          -     -          -     - ensemble P 32       
     1 115          -     -          -     -          -     - ensemble P 32       
     1 116          -     -          -     -          -     - ensemble P 32       
     1 117          -     -          -     -          -     - ensemble P 32       
     1 118          -     -          -     -          -     - ensemble P 32       
     1 119          -     -          -     -          -     - ensemble P 32       
     1 120          -     -          -     -          -     - ensemble P 32       
     1 121          -     -          -     -          -     - ensemble P 32       
     1 122          -     -          -     -          -     - ensemble P 32       
     1 123          -     -          -     -          -     - ensemble P 32       
     1 124          -     -          -     -          -     - ensemble P 32       
     1 125          -     -          -     -          -     - ensemble P 32       
     1 126          -     -          -     -          -     - ensemble P 32       
     1 127          -     -          -     -          -     - ensemble P 32       
     1 128          -     -          -     -          -     - ensemble P 32       
     1 129          -     -          -     -          -     - ensemble P 32       
     1 130          -     -          -     -          -     - ensemble P 32       
     1 131          -     -          -     -          -     - ensemble P 32       
     1 132          -     -          -     -          -     - ensemble P 32       
     1 133          -     -          -     -          -     - ensemble P 32       
     1 134          -     -          -     -          -     - ensemble P 32       
     1 135          -     -          -     -          -     - ensemble P 32       
     1 136          -     -          -     -          -     - ensemble P 32       
     1 137          -     -          -     -          -     - ensemble P 32       
     1 138          -     -          -     -          -     - ensemble P 32       
     1 139          -     -          -     -          -     - ensemble P 32       
     1 140          -     -          -     -          -     - ensemble P 32       
     1 141          -     -          -     -          -     - ensemble P 32       
     1 142          -     -          -     -          -     - ensemble P 32       
     1 143          -     -          -     -          -     - ensemble P 32       
     1 144          -     -          -     -          -     - ensemble P 32       
     1 145          -     -          -     -          -     - ensemble P 32       
     1 146          -     -          -     -          -     - ensemble P 32       
     1 147          -     -          -     -          -     - ensemble P 32       
     1 148          -     -          -     -          -     - ensemble P 32       
     1 149          -     -          -     -          -     - ensemble P 32       
     1 150          -     -          -     -          -     - ensemble P 32       
     1 151          -     -          -     -          -     - ensemble P 32       
     1 152          -     -          -     -          -     - ensemble P 32       
     1 153          -     -          -     -          -     - ensemble P 32       
     1 154          -     -          -     -          -     - ensemble P 32       
     1 155          -     -          -     -          -     - ensemble P 32       
     1 156          -     -          -     -          -     - ensemble P 32       
     1 157          -     -          -     -          -     - ensemble P 32       
     1 158          -     -          -     -          -     - ensemble P 32       
     1 159          -     -          -     -          -     - ensemble P 32       
     1 160          -     -          -     -          -     - ensemble P 32       
     1 161          -     -          -     -          -     - ensemble P 32       
     1 162          -     -          -     -          -     - ensemble P 32       
     1 163          -     -          -     -          -     - ensemble P 32       
     1 164          -     -          -     -          -     - ensemble P 32       
     1 165          -     -          -     -          -     - ensemble P 32       
     1 166          -     -          -     -          -     - ensemble P 32       
     1 167          -     -          -     -          -     - ensemble P 32       
     1 168          -     -          -     -          -     - ensemble P 32       
     1 169          -     -          -     -          -     - ensemble P 32       
     1 170          -     -          -     -          -     - ensemble P 32       
     1 171          -     -          -     -          -     - ensemble P 32       
     1 172          -     -          -     -          -     - ensemble P 32       
     1 173          -     -          -     -          -     - ensemble P 32       
     1 174          -     -          -     -          -     - ensemble P 32       
     1 175          -     -          -     -          -     - ensemble P 32       
     1 176          -     -          -     -          -     - ensemble P 32       
     1 177          -     -          -     -          -     - ensemble P 32       
     1 178          -     -          -     -          -     - ensemble P 32       
     1 179          -     -          -     -          -     - ensemble P 32       
     1 180          -     -          -     -          -     - ensemble P 32       
     1 181          -     -          -     -          -     - ensemble P 32       
     1 182          -     -          -     -          -     - ensemble P 32       
     1 183          -     -          -     -          -     - ensemble P 32       
     1 184          -     -          -     -          -     - ensemble P 32       
     1 185          -     -          -     -          -     - ensemble P 32       
     1 186          -     -          -     -          -     - ensemble P 32       
     1 187          -     -          -     -          -     - ensemble P 32       
     1 188          -     -          -     -          -     - ensemble P 32       
     1 189          -     -          -     -          -     - ensemble P 32       
     1 190          -     -          -     -          -     - ensemble P 32       
     1 191          -     -          -     -          -     - ensemble P 32       
     1 192          -     -          -     -          -     - ensemble P 32       
     1 193          -     -          -     -          -     - ensemble P 32       
     1 194          -     -          -     -          -     - ensemble P 32       
     1 195          -     -          -     -          -     - ensemble P 32       
     1 196          -     -          -     -          -     - ensemble P 32       
     1 197          -     -          -     -          -     - ensemble P 32       
     1 198          -     -          -     -          -     - ensemble P 32       
     1 199          -     -          -     -          -     - ensemble P 32       
     1 200          -     -          -     -          -     - ensemble P 32       
     1 201          -     -          -     -          -     - ensemble P 32       
     1 202          -     -          -     -          -     - ensemble P 32       
     1 203          -     -          -     -          -     - ensemble P 32       
     1 204          -     -          -     -          -     - ensemble P 32       
     1 205          -     -          -     -          -     - ensemble P 32       
     1 206          -     -          -     -          -     - ensemble P 32       
     1 207          -     -          -     -          -     - ensemble P 32       
     1 208          -     -          -     -          -     - ensemble P 32       
     1 209          -     -          -     -          -     - ensemble P 32       
     1 210          -     -          -     -          -     - ensemble P 32       
     1 211          -     -          -     -          -     - ensemble P 32       
     1 212          -     -          -     -          -     - ensemble P 32       
     1 213          -     -          -     -          -     - ensemble P 32       
     1 214          -     -          -     -          -     - ensemble P 32       
     1 215          -     -          -     -          -     - ensemble P 32       
     1 216          -     -          -     -          -     - ensemble P 32       
     1 217          -     -          -     -          -     - ensemble P 32       
     1 218          -     -          -     -          -     - ensemble P 32       
     1 219          -     -          -     -          -     - ensemble P 32       
     1 220          -     -          -     -          -     - ensemble P 32       
     1 221          -     -          -     -          -     - ensemble P 32       
     1 222          -     -          -     -          -     - ensemble P 32       
     1 223          -     -          -     -          -     - ensemble P 32       
     1 224          -     -          -     -          -     - ensemble P 32       
     1 225          -     -          -     -          -     - ensemble P 32       
     1 226          -     -          -     -          -     - ensemble P 32       
     1 227          -     -          -     -          -     - ensemble P 32       
     1 228          -     -          -     -          -     - ensemble P 32       
     1 229          -     -          -     -          -     - ensemble P 32       
     1 230          -     -          -     -          -     - ensemble P 32       
     1 231          -     -          -     -          -     - ensemble P 32       
     1 232          -     -          -     -          -     - ensemble P 32       
     1 233          -     -          -     -          -     - ensemble P 32       
     1 234          -     -          -     -          -     - ensemble P 32       
     1 235          -     -          -     -          -     - ensemble P 32       
     1 236          -     -          -     -          -     - ensemble P 32       
     1 237          -     -          -     -          -     - ensemble P 32       
     1 238          -     -          -     -          -     - ensemble P 32       
     1 239          -     -          -     -          -     - ensemble P 32       
     1 240          -     -          -     -          -     - ensemble P 32       
     1 241          -     -          -     -          -     - ensemble P 32       
     1 242          -     -          -     -          -     - ensemble P 32       
     1 243          -     -          -     -          -     - ensemble P 32       
     1 244          -     -          -     -          -     - ensemble P 32       
     1 245          -     -          -     -          -     - ensemble P 32       
     1 246          -     -          -     -          -     - ensemble P 32       
     1 247          -     -          -     -          -     - ensemble P 32       
     1 248          -     -          -     -          -     - ensemble P 32       
     1 249          -     -          -     -          -     - ensemble P 32       
     1 250          -     -          -     -          -     - ensemble P 32       
     1 251          -     -          -     -          -     - ensemble P 32       
     1 252          -     -          -     -          -     - ensemble P 32       
     1 253          -     -          -     -          -     - ensemble P 32       
     1 254          -     -          -     -          -     - ensemble P 32       
     1 255          -     -          -     -          -     - ensemble P 32       
     1 256          -     -          -     -          -     - ensemble P 32       
     1 257          -     -          -     -          -     - ensemble P 32       
     1 258          -     -          -     -          -     - ensemble P 32       
     1 259          -     -          -     -          -     - ensemble P 32       
     1 260          -     -          -     -          -     - ensemble P 32       
     1 261          -     -          -     -          -     - ensemble P 32       
     1 262          -     -          -     -          -     - ensemble P 32       
     1 263          -     -          -     -          -     - ensemble P 32       
     1 264          -     -          -     -          -     - ensemble P 32       
     1 265          -     -          -     -          -     - ensemble P 32       
     1 266          -     -          -     -          -     - ensemble P 32       
     1 267          -     -          -     -          -     - ensemble P 32       
     1 268          -     -          -     -          -     - ensemble P 32       
     1 269          -     -          -     -          -     - ensemble P 32       
     1 270          -     -          -     -          -     - ensemble P 32       
     1 271          -     -          -     -          -     - ensemble P 32       
     1 272          -     -          -     -          -     - ensemble P 32       
     1 273          -     -          -     -          -     - ensemble P 32       
     1 274          -     -          -     -          -     - ensemble P 32       
     1 275          -     -          -     -          -     - ensemble P 32       
     1 276          -     -          -     -          -     - ensemble P 32       
     1 277          -     -          -     -          -     - ensemble P 32       
     1 278          -     -          -     -          -     - ensemble P 32       
     1 279          -     -          -     -          -     - ensemble P 32       
     1 280          -     -          -     -          -     - ensemble P 32       
     1 281          -     -          -     -          -     - ensemble P 32       
     1 282          -     -          -     -          -     - ensemble P 32       
     1 283          -     -          -     -          -     - ensemble P 32       
     1 284          -     -          -     -          -     - ensemble P 32       
     1 285          -     -          -     -          -     - ensemble P 32       
     1 286          -     -          -     -          -     - ensemble P 32       
     1 287          -     -          -     -          -     - ensemble P 32       
     1 288          -     -          -     -          -     - ensemble P 32       
     1 289          -     -          -     -          -     - ensemble P 32       
     1 290          -     -          -     -          -     - ensemble P 32       
     1 291          -     -          -     -          -     - ensemble P 32       
     1 292          -     -          -     -          -     - ensemble P 32       
     1 293          -     -          -     -          -     - ensemble P 32       
     1 294          -     -          -     -          -     - ensemble P 32       
     1 295          -     -          -     -          -     - ensemble P 32       
     1 296          -     -          -     -          -     - ensemble P 32       
     1 297          -     -          -     -          -     - ensemble P 32       
     1 298          -     -          -     -          -     - ensemble P 32       
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     1 486*         -     -          -     -          -     - ensemble P 32       
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     1 673*         -     -          -     -          -     - ensemble P 32       
     1 674*         -     -          -     -          -     - ensemble P 32       
     1 675*         -     -          -     -          -     - ensemble P 32       
     1 676*         -     -          -     -          -     - ensemble P 32       
     1 677*         -     -          -     -          -     - ensemble P 32       
     1 678*         -     -          -     -          -     - ensemble P 32       
     1 679*         -     -          -     -          -     - ensemble P 32       
     1 680*         -     -          -     -          -     - ensemble P 32       
     1 681*         -     -          -     -          -     - ensemble P 32       
     1 682*         -     -          -     -          -     - ensemble P 32       
     1 683*         -     -          -     -          -     - ensemble P 32       
     1 684*         -     -          -     -          -     - ensemble P 32       
     1 685*         -     -          -     -          -     - ensemble P 32       
     1 686*         -     -          -     -          -     - ensemble P 32       
     1 687*         -     -          -     -          -     - ensemble P 32       
     1 688*         -     -          -     -          -     - ensemble P 32       
     1 689*         -     -          -     -          -     - ensemble P 32       
     1 690*         -     -          -     -          -     - ensemble P 32       
     1 691*         -     -          -     -          -     - ensemble P 32       
     1 692*         -     -          -     -          -     - ensemble P 32       
     1 693*         -     -          -     -          -     - ensemble P 32       
     1 694*         -     -          -     -          -     - ensemble P 32       
     1 695*         -     -          -     -          -     - ensemble P 32       
     1 696*         -     -          -     -          -     - ensemble P 32       
     1 697*         -     -          -     -          -     - ensemble P 32       
     1 698*         -     -          -     -          -     - ensemble P 32       
     1 699*         -     -          -     -          -     - ensemble P 32       
     1 700*         -     -          -     -          -     - ensemble P 32       
   --- ---
     2   1      151.9  2.97      151.3  2.98      150.9  2.93 ensemble P 31       
     2   2      147.2  3.11      146.9  3.49      143.6  3.27 ensemble P 31       
     2   3      141.8  3.30          -     -          -     - ensemble P 31       
     2   4      141.4  3.77      137.8  3.33      133.7  3.28 ensemble P 31       
     2   5          -     -          -     -          -     - ensemble P 31       
     2   6          -     -          -     -          -     - ensemble P 31       
     2   7          -     -          -     -          -     - ensemble P 31       
     2   8          -     -          -     -          -     - ensemble P 31       
     2   9          -     -          -     -          -     - ensemble P 31       
     2  10      130.9  3.37          -     -          -     - ensemble P 31       
     2  11          -     -          -     -          -     - ensemble P 31       
     2  12          -     -          -     -          -     - ensemble P 31       
     2  13          -     -          -     -          -     - ensemble P 31       
     2  14          -     -          -     -          -     - ensemble P 31       
     2  15          -     -          -     -          -     - ensemble P 31       
     2  16          -     -          -     -          -     - ensemble P 31       
     2  17          -     -          -     -          -     - ensemble P 31       
     2  18          -     -          -     -          -     - ensemble P 31       
     2  19          -     -          -     -          -     - ensemble P 31       
     2  20          -     -          -     -          -     - ensemble P 31       
     2  21      135.9  4.18          -     -          -     - ensemble P 31       
     2  22          -     -          -     -          -     - ensemble P 31       
     2  23          -     -          -     -          -     - ensemble P 31       
     2  24          -     -          -     -          -     - ensemble P 31       
     2  25          -     -          -     -          -     - ensemble P 31       
     2  26          -     -          -     -          -     - ensemble P 31       
     2  27          -     -          -     -          -     - ensemble P 31       
     2  28          -     -          -     -          -     - ensemble P 31       
     2  29          -     -          -     -          -     - ensemble P 31       
     2  30          -     -          -     -          -     - ensemble P 31       
     2  31          -     -          -     -          -     - ensemble P 31       
     2  32          -     -          -     -          -     - ensemble P 31       
     2  33          -     -          -     -          -     - ensemble P 31       
     2  34          -     -          -     -          -     - ensemble P 31       
     2  35          -     -          -     -          -     - ensemble P 31       
     2  36          -     -          -     -          -     - ensemble P 31       
     2  37          -     -          -     -          -     - ensemble P 31       
     2  38          -     -          -     -          -     - ensemble P 31       
     2  39          -     -          -     -          -     - ensemble P 31       
     2  40          -     -          -     -          -     - ensemble P 31       
     2  41          -     -          -     -          -     - ensemble P 31       
     2  42          -     -          -     -          -     - ensemble P 31       
     2  43          -     -          -     -          -     - ensemble P 31       
     2  44          -     -          -     -          -     - ensemble P 31       
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     2  47          -     -          -     -          -     - ensemble P 31       
     2  48          -     -          -     -          -     - ensemble P 31       
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     2  54          -     -          -     -          -     - ensemble P 31       
     2  55          -     -          -     -          -     - ensemble P 31       
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     2  59          -     -          -     -          -     - ensemble P 31       
     2  60          -     -          -     -          -     - ensemble P 31       
     2  61          -     -          -     -          -     - ensemble P 31       
     2  62          -     -          -     -          -     - ensemble P 31       
     2  63          -     -          -     -          -     - ensemble P 31       
     2  64          -     -          -     -          -     - ensemble P 31       
     2  65          -     -          -     -          -     - ensemble P 31       
     2  66          -     -          -     -          -     - ensemble P 31       
     2  67          -     -          -     -          -     - ensemble P 31       
     2  68          -     -          -     -          -     - ensemble P 31       
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     2  70          -     -          -     -          -     - ensemble P 31       
     2  71          -     -          -     -          -     - ensemble P 31       
     2  72          -     -          -     -          -     - ensemble P 31       
     2  73          -     -          -     -          -     - ensemble P 31       
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     2  78          -     -          -     -          -     - ensemble P 31       
     2  79          -     -          -     -          -     - ensemble P 31       
     2  80          -     -          -     -          -     - ensemble P 31       
     2  81          -     -          -     -          -     - ensemble P 31       
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     2  95          -     -          -     -          -     - ensemble P 31       
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     2 100          -     -          -     -          -     - ensemble P 31       
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     2 104          -     -          -     -          -     - ensemble P 31       
     2 105          -     -          -     -          -     - ensemble P 31       
     2 106          -     -          -     -          -     - ensemble P 31       
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     2 110          -     -          -     -          -     - ensemble P 31       
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     2 130          -     -          -     -          -     - ensemble P 31       
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     2 138          -     -          -     -          -     - ensemble P 31       
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     2 140          -     -          -     -          -     - ensemble P 31       
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     2 150          -     -          -     -          -     - ensemble P 31       
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     2 400          -     -          -     -          -     - ensemble P 31       
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     2 470          -     -          -     -          -     - ensemble P 31       
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     2 480          -     -          -     -          -     - ensemble P 31       
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     2 484          -     -          -     -          -     - ensemble P 31       
     2 485          -     -          -     -          -     - ensemble P 31       
     2 486*         -     -          -     -          -     - ensemble P 31       
     2 487*         -     -          -     -          -     - ensemble P 31       
     2 488*         -     -          -     -          -     - ensemble P 31       
     2 489*         -     -          -     -          -     - ensemble P 31       
     2 490*         -     -          -     -          -     - ensemble P 31       
     2 491*         -     -          -     -          -     - ensemble P 31       
     2 492*         -     -          -     -          -     - ensemble P 31       
     2 493*         -     -          -     -          -     - ensemble P 31       
     2 494*         -     -          -     -          -     - ensemble P 31       
     2 495*         -     -          -     -          -     - ensemble P 31       
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     2 497*         -     -          -     -          -     - ensemble P 31       
     2 498*         -     -          -     -          -     - ensemble P 31       
     2 499*         -     -          -     -          -     - ensemble P 31       
     2 500*         -     -          -     -          -     - ensemble P 31       
     2 501*         -     -          -     -          -     - ensemble P 31       
     2 502*         -     -          -     -          -     - ensemble P 31       
     2 503*         -     -          -     -          -     - ensemble P 31       
     2 504*         -     -          -     -          -     - ensemble P 31       
     2 505*         -     -          -     -          -     - ensemble P 31       
     2 506*         -     -          -     -          -     - ensemble P 31       
     2 507*         -     -          -     -          -     - ensemble P 31       
     2 508*         -     -          -     -          -     - ensemble P 31       
     2 509*         -     -          -     -          -     - ensemble P 31       
     2 510*         -     -          -     -          -     - ensemble P 31       
     2 511*         -     -          -     -          -     - ensemble P 31       
     2 512*         -     -          -     -          -     - ensemble P 31       
     2 513*         -     -          -     -          -     - ensemble P 31       
     2 514*         -     -          -     -          -     - ensemble P 31       
     2 515*         -     -          -     -          -     - ensemble P 31       
     2 516*         -     -          -     -          -     - ensemble P 31       
     2 517*         -     -          -     -          -     - ensemble P 31       
     2 518*         -     -          -     -          -     - ensemble P 31       
     2 519*         -     -          -     -          -     - ensemble P 31       
     2 520*         -     -          -     -          -     - ensemble P 31       
     2 521*         -     -          -     -          -     - ensemble P 31       
     2 522*         -     -          -     -          -     - ensemble P 31       
     2 523*         -     -          -     -          -     - ensemble P 31       
     2 524*         -     -          -     -          -     - ensemble P 31       
     2 525*         -     -          -     -          -     - ensemble P 31       
     2 526*         -     -          -     -          -     - ensemble P 31       
     2 527*         -     -          -     -          -     - ensemble P 31       
     2 528*         -     -          -     -          -     - ensemble P 31       
     2 529*         -     -          -     -          -     - ensemble P 31       
     2 530*         -     -          -     -          -     - ensemble P 31       
     2 531*         -     -          -     -          -     - ensemble P 31       
     2 532*         -     -          -     -          -     - ensemble P 31       
     2 533*         -     -          -     -          -     - ensemble P 31       
     2 534*         -     -          -     -          -     - ensemble P 31       
     2 535*         -     -          -     -          -     - ensemble P 31       
     2 536*         -     -          -     -          -     - ensemble P 31       
     2 537*         -     -          -     -          -     - ensemble P 31       
     2 538*         -     -          -     -          -     - ensemble P 31       
     2 539*         -     -          -     -          -     - ensemble P 31       
     2 540*         -     -          -     -          -     - ensemble P 31       
     2 541*         -     -          -     -          -     - ensemble P 31       
     2 542*         -     -          -     -          -     - ensemble P 31       
     2 543*         -     -          -     -          -     - ensemble P 31       
     2 544*         -     -          -     -          -     - ensemble P 31       
     2 545*         -     -          -     -          -     - ensemble P 31       
     2 546*         -     -          -     -          -     - ensemble P 31       
     2 547*         -     -          -     -          -     - ensemble P 31       
     2 548*         -     -          -     -          -     - ensemble P 31       
     2 549*         -     -          -     -          -     - ensemble P 31       
     2 550*         -     -          -     -          -     - ensemble P 31       
     2 551*         -     -          -     -          -     - ensemble P 31       
     2 552*         -     -          -     -          -     - ensemble P 31       
     2 553*         -     -          -     -          -     - ensemble P 31       
     2 554*         -     -          -     -          -     - ensemble P 31       
     2 555*         -     -          -     -          -     - ensemble P 31       
     2 556*         -     -          -     -          -     - ensemble P 31       
     2 557*         -     -          -     -          -     - ensemble P 31       
     2 558*         -     -          -     -          -     - ensemble P 31       
     2 559*         -     -          -     -          -     - ensemble P 31       
     2 560*         -     -          -     -          -     - ensemble P 31       
     2 561*         -     -          -     -          -     - ensemble P 31       
     2 562*         -     -          -     -          -     - ensemble P 31       
     2 563*         -     -          -     -          -     - ensemble P 31       
     2 564*         -     -          -     -          -     - ensemble P 31       
     2 565*         -     -          -     -          -     - ensemble P 31       
     2 566*         -     -          -     -          -     - ensemble P 31       
     2 567*         -     -          -     -          -     - ensemble P 31       
     2 568*         -     -          -     -          -     - ensemble P 31       
     2 569*         -     -          -     -          -     - ensemble P 31       
     2 570*         -     -          -     -          -     - ensemble P 31       
     2 571*         -     -          -     -          -     - ensemble P 31       
     2 572*         -     -          -     -          -     - ensemble P 31       
     2 573*         -     -          -     -          -     - ensemble P 31       
     2 574*         -     -          -     -          -     - ensemble P 31       
     2 575*         -     -          -     -          -     - ensemble P 31       
     2 576*         -     -          -     -          -     - ensemble P 31       
     2 577*         -     -          -     -          -     - ensemble P 31       
     2 578*         -     -          -     -          -     - ensemble P 31       
     2 579*         -     -          -     -          -     - ensemble P 31       
     2 580*         -     -          -     -          -     - ensemble P 31       
     2 581*         -     -          -     -          -     - ensemble P 31       
     2 582*         -     -          -     -          -     - ensemble P 31       
     2 583*         -     -          -     -          -     - ensemble P 31       
     2 584*         -     -          -     -          -     - ensemble P 31       
     2 585*         -     -          -     -          -     - ensemble P 31       
     2 586*         -     -          -     -          -     - ensemble P 31       
     2 587*         -     -          -     -          -     - ensemble P 31       
     2 588*         -     -          -     -          -     - ensemble P 31       
     2 589*         -     -          -     -          -     - ensemble P 31       
     2 590*         -     -          -     -          -     - ensemble P 31       
     2 591*         -     -          -     -          -     - ensemble P 31       
     2 592*         -     -          -     -          -     - ensemble P 31       
     2 593*         -     -          -     -          -     - ensemble P 31       
     2 594*         -     -          -     -          -     - ensemble P 31       
     2 595*         -     -          -     -          -     - ensemble P 31       
     2 596*         -     -          -     -          -     - ensemble P 31       
     2 597*         -     -          -     -          -     - ensemble P 31       
     2 598*         -     -          -     -          -     - ensemble P 31       
     2 599*         -     -          -     -          -     - ensemble P 31       
     2 600*         -     -          -     -          -     - ensemble P 31       
     2 601*         -     -          -     -          -     - ensemble P 31       
     2 602*         -     -          -     -          -     - ensemble P 31       
     2 603*         -     -          -     -          -     - ensemble P 31       
     2 604*         -     -          -     -          -     - ensemble P 31       
     2 605*         -     -          -     -          -     - ensemble P 31       
     2 606*         -     -          -     -          -     - ensemble P 31       
     2 607*         -     -          -     -          -     - ensemble P 31       
     2 608*         -     -          -     -          -     - ensemble P 31       
     2 609*         -     -          -     -          -     - ensemble P 31       
     2 610*         -     -          -     -          -     - ensemble P 31       
     2 611*         -     -          -     -          -     - ensemble P 31       
     2 612*         -     -          -     -          -     - ensemble P 31       
     2 613*         -     -          -     -          -     - ensemble P 31       
     2 614*         -     -          -     -          -     - ensemble P 31       
     2 615*         -     -          -     -          -     - ensemble P 31       
     2 616*         -     -          -     -          -     - ensemble P 31       
     2 617*         -     -          -     -          -     - ensemble P 31       
     2 618*         -     -          -     -          -     - ensemble P 31       
     2 619*         -     -          -     -          -     - ensemble P 31       
     2 620*         -     -          -     -          -     - ensemble P 31       
     2 621*         -     -          -     -          -     - ensemble P 31       
     2 622*         -     -          -     -          -     - ensemble P 31       
     2 623*         -     -          -     -          -     - ensemble P 31       
     2 624*         -     -          -     -          -     - ensemble P 31       
     2 625*         -     -          -     -          -     - ensemble P 31       
     2 626*         -     -          -     -          -     - ensemble P 31       
     2 627*         -     -          -     -          -     - ensemble P 31       
     2 628*         -     -          -     -          -     - ensemble P 31       
     2 629*         -     -          -     -          -     - ensemble P 31       
     2 630*         -     -          -     -          -     - ensemble P 31       
     2 631*         -     -          -     -          -     - ensemble P 31       
     2 632*         -     -          -     -          -     - ensemble P 31       
     2 633*         -     -          -     -          -     - ensemble P 31       
     2 634*         -     -          -     -          -     - ensemble P 31       
     2 635*         -     -          -     -          -     - ensemble P 31       
     2 636*         -     -          -     -          -     - ensemble P 31       
     2 637*         -     -          -     -          -     - ensemble P 31       
     2 638*         -     -          -     -          -     - ensemble P 31       
     2 639*         -     -          -     -          -     - ensemble P 31       
     2 640*         -     -          -     -          -     - ensemble P 31       
     2 641*         -     -          -     -          -     - ensemble P 31       
     2 642*         -     -          -     -          -     - ensemble P 31       
     2 643*         -     -          -     -          -     - ensemble P 31       
     2 644*         -     -          -     -          -     - ensemble P 31       
     2 645*         -     -          -     -          -     - ensemble P 31       
     2 646*         -     -          -     -          -     - ensemble P 31       
     2 647*         -     -          -     -          -     - ensemble P 31       
     2 648*         -     -          -     -          -     - ensemble P 31       
     2 649*         -     -          -     -          -     - ensemble P 31       
     2 650*         -     -          -     -          -     - ensemble P 31       
     2 651*         -     -          -     -          -     - ensemble P 31       
     2 652*         -     -          -     -          -     - ensemble P 31       
     2 653*         -     -          -     -          -     - ensemble P 31       
     2 654*         -     -          -     -          -     - ensemble P 31       
     2 655*         -     -          -     -          -     - ensemble P 31       
     2 656*         -     -          -     -          -     - ensemble P 31       
     2 657*         -     -          -     -          -     - ensemble P 31       
     2 658*         -     -          -     -          -     - ensemble P 31       
     2 659*         -     -          -     -          -     - ensemble P 31       
     2 660*         -     -          -     -          -     - ensemble P 31       
     2 661*         -     -          -     -          -     - ensemble P 31       
     2 662*         -     -          -     -          -     - ensemble P 31       
     2 663*         -     -          -     -          -     - ensemble P 31       
     2 664*         -     -          -     -          -     - ensemble P 31       
     2 665*         -     -          -     -          -     - ensemble P 31       
     2 666*         -     -          -     -          -     - ensemble P 31       
     2 667*         -     -          -     -          -     - ensemble P 31       
     2 668*         -     -          -     -          -     - ensemble P 31       
     2 669*         -     -          -     -          -     - ensemble P 31       
     2 670*         -     -          -     -          -     - ensemble P 31       
     2 671*         -     -          -     -          -     - ensemble P 31       
     2 672*         -     -          -     -          -     - ensemble P 31       
     2 673*         -     -          -     -          -     - ensemble P 31       
     2 674*         -     -          -     -          -     - ensemble P 31       
     2 675*         -     -          -     -          -     - ensemble P 31       
     2 676*         -     -          -     -          -     - ensemble P 31       
     2 677*         -     -          -     -          -     - ensemble P 31       
     2 678*         -     -          -     -          -     - ensemble P 31       
     2 679*         -     -          -     -          -     - ensemble P 31       
     2 680*         -     -          -     -          -     - ensemble P 31       
     2 681*         -     -          -     -          -     - ensemble P 31       
     2 682*         -     -          -     -          -     - ensemble P 31       
     2 683*         -     -          -     -          -     - ensemble P 31       
     2 684*         -     -          -     -          -     - ensemble P 31       
     2 685*         -     -          -     -          -     - ensemble P 31       
     2 686*         -     -          -     -          -     - ensemble P 31       
     2 687*         -     -          -     -          -     - ensemble P 31       
     2 688*         -     -          -     -          -     - ensemble P 31       
     2 689*         -     -          -     -          -     - ensemble P 31       
     2 690*         -     -          -     -          -     - ensemble P 31       
     2 691*         -     -          -     -          -     - ensemble P 31       
     2 692*         -     -          -     -          -     - ensemble P 31       
     2 693*         -     -          -     -          -     - ensemble P 31       
     2 694*         -     -          -     -          -     - ensemble P 31       
     2 695*         -     -          -     -          -     - ensemble P 31       
     2 696*         -     -          -     -          -     - ensemble P 31       
     2 697*         -     -          -     -          -     - ensemble P 31       
     2 698*         -     -          -     -          -     - ensemble P 31       
     2 699*         -     -          -     -          -     - ensemble P 31       
     2 700*         -     -          -     -          -     - ensemble P 31       
   --- ---
     3   1      169.0  3.39      165.3  3.10      163.1  2.92 ensemble P 3        
     3   2      167.3  3.83      165.0  3.61      162.1  3.52 ensemble P 3        
     3   3      154.6  3.21          -     -          -     - ensemble P 3        
     3   4      153.4  3.30      152.9  3.44          -     - ensemble P 3        
     3   5          -     -          -     -          -     - ensemble P 3        
     3   6          -     -          -     -          -     - ensemble P 3        
     3   7      149.3  3.82          -     -          -     - ensemble P 3        
     3   8      152.8  3.81          -     -          -     - ensemble P 3        
     3   9          -     -          -     -          -     - ensemble P 3        
     3  10          -     -          -     -          -     - ensemble P 3        
     3  11      145.6  4.04          -     -          -     - ensemble P 3        
     3  12          -     -          -     -          -     - ensemble P 3        
     3  13      146.3  3.91          -     -          -     - ensemble P 3        
     3  14          -     -          -     -          -     - ensemble P 3        
     3  15          -     -          -     -          -     - ensemble P 3        
     3  16      149.0  4.07          -     -          -     - ensemble P 3        
     3  17          -     -          -     -          -     - ensemble P 3        
     3  18          -     -          -     -          -     - ensemble P 3        
     3  19          -     -          -     -          -     - ensemble P 3        
     3  20          -     -          -     -          -     - ensemble P 3        
     3  21          -     -          -     -          -     - ensemble P 3        
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     3 700*         -     -          -     -          -     - ensemble P 3        
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = 168.97
   Top TFZ = 4.82
   Mean TF = 67.23
   Percent used for purge = 75%
   Cutoff for acceptance = 143.5
      TFZ used for final selection = 8
         Number of solutions over TF final cutoff  = 74
         Number of solutions over TFZ final cutoff = 0
         Number of solutions over TF & TFZ cutoff  = 0
   Number of solutions stored before final selection = 114
   Number of solutions stored (deleted) after final selection = 74 (40)


$TABLE : Translation Function Component #1 (ensemble1):
$GRAPHS 
:TF Number vs LL-gain:AUTO:1,2: :TF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1     168.97  3.39
2     167.26  3.83
3     165.26  3.10
4     165.03  3.61
5     163.07  2.92
6     162.14  3.03
7     162.05  3.52
8     160.85  2.90
9     160.31  2.61
10     158.71  2.54
11     158.13  3.10
12     158.04  2.80
13     156.94  2.91
14     156.82  2.46
15     155.26  2.38
16     154.76  2.31
17     154.58  3.21
18     154.22  2.94
19     153.85  2.30
20     153.54  2.32
21     153.42  3.30
22     152.95  2.84
23     152.87  3.44
24     152.83  3.81
25     151.86  2.97
26     151.34  2.98
27     150.93  2.93
28     150.15  4.81
29     150.14  2.75
30     149.89  2.65
31     149.84  4.51
32     149.36  2.70
33     149.31  3.82
34     149.26  2.30
35     148.98  2.44
36     148.95  4.07
37     148.90  2.59
38     148.66  4.82
39     148.36  2.91
40     148.26  2.47
41     148.09  2.37
42     147.50  2.41
43     147.38  2.44
44     147.17  3.11
45     146.98  2.44
46     146.94  2.61
47     146.92  2.67
48     146.89  3.49
49     146.77  2.49
50     146.64  2.42
51     146.43  3.98
52     146.32  3.91
53     146.19  2.50
54     146.15  3.90
55     145.78  2.51
56     145.62  4.04
57     145.34  2.43
58     145.13  2.31
59     145.01  2.02
60     145.00  2.29
61     144.98  2.07
62     144.90  4.54
63     144.79  4.16
64     144.71  4.36
65     144.52  2.10
66     144.46  3.56
67     144.20  2.99
68     144.08  4.04
69     143.99  3.09
70     143.97  2.38
71     143.61  3.27
72     143.60  2.23
73     143.57  2.30
74     143.57  2.01
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 9 mins 22.77 secs (    562.77 secs)
Finished: Thu Apr 21 17:55:12 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                   2.6.1 ***
*************************************************************************************


---------
ENSEMBLES
---------

   Packing Ensemble: ensemble1

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "ensemble1" Point Group: 1

----------------------
STRUCTURES FOR PACKING
----------------------

   Packing will be performed with "trace" atoms
      : C-alphas for protein
      : P C3* & C4* for single stranded nucleic acid
      : P C3* & C4* and N (bases) for double stranded nucleic acid
   If there are no trace atoms in the molecule(s) all atoms will be used in the
   packing test
   If the trace length exceeds 1000 atoms then the molecule(s) will be sampled on a
   hexagonal grid and the clash distance increased in proportion to the size of the
   hexagonal grid sampling
   When an ensemble consists of more than one structure, the structure with the
   highest homology is selected for packing and the structure trimmed of loops that
   diverge more than 3A from other atoms in the ensemble


   Ensemble: ensemble1
   -------------------
   All atoms =  707
   Structure with lowest rms = 2N2D-model1.pdb (0.362426)
   Trace length = 155
   Trace atoms clash if they are closer than  3.00 Angstroms


----------------
PACKING FUNCTION
----------------

   There are 74 solutions to pack
   Spreading calculation onto 2 threads.
   Packing analysis
   0%                                     100%
   |======================================| DONE


   Packing Table
   -------------
   Solutions accepted if total number of clashes <= 5% of trace atoms
      i.e. total number of clashes <= 15
   AND if number of clashes <= 5% of trace atoms for each ensemble
      i.e. ensemble1: number of clashes <= 7
   #in  #out Clashes Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    ---  >16     --       3     1    1        168.97  3.39  P 3        
   2    ---  >16     --       3     2    1        167.26  3.83  P 3        
   3    ---  >16     --       3     1    2        165.26  3.10  P 3        
   4    ---  >16     --       3     2    2        165.03  3.61  P 3        
   5    ---  >16     --       3     1    3        163.07  2.92  P 3        
   6    ---  >16     --       3     1    4        162.14  3.03  P 3        
   7    ---  >16     --       3     2    3        162.05  3.52  P 3        
   8    ---  >16     --       3     1    5        160.85  2.90  P 3        
   9    ---  >16     --       3     1    6        160.31  2.61  P 3        
   10   ---  >16     --       3     1    7        158.71  2.54  P 3        
   11   ---  >16     --       3     2    4        158.13  3.10  P 3        
   12   ---  >16     --       3     2    5        158.04  2.80  P 3        
   13   ---  >16     --       3     2    6        156.94  2.91  P 3        
   14   ---  >16     --       3     1    8        156.82  2.46  P 3        
   15   ---  >16     --       3     1    9        155.26  2.38  P 3        
   16   ---  >16     --       3     1   10        154.76  2.31  P 3        
   17   ---  >16     --       3     3    1        154.58  3.21  P 3        
   18   ---  >16     --       3     2    7        154.22  2.94  P 3        
   19   ---  >16     --       3     1   11        153.85  2.30  P 3        
   20   ---  >16     --       3     1   12        153.54  2.32  P 3        
   21   ---  >16     --       3     4    1        153.42  3.30  P 3        
   22   ---  >16     --       3     2    8        152.95  2.84  P 3        
   23   ---  >16     --       3     4    2        152.87  3.44  P 3        
   24   ---  >16     --       3     8    1        152.83  3.81  P 3        
   25   Top1  0      --       2     1    1        151.86  2.97  P 31       
   26   2     0      --       2     1    2        151.34  2.98  P 31       
   27   3     0      --       2     1    3        150.93  2.93  P 31       
   28   ---  >16     --       3    65    1        150.15  4.81  P 3        
   29   4     0      --       1     1    1        150.14  2.75  P 32       
   30   5     0      --       1     1    2        149.89  2.65  P 32       
   31   ---  >16     --       3    32    1        149.84  4.51  P 3        
   32   6     0      --       2     1    4        149.36  2.70  P 31       
   33   ---  >16     --       3     7    1        149.31  3.82  P 3        
   34   7     0      --       1     1    3        149.26  2.30  P 32       
   35   8     0      --       2     1    5        148.98  2.44  P 31       
   36   ---  >16     --       3    16    1        148.95  4.07  P 3        
   37   9     0      --       1     1    4        148.90  2.59  P 32       
   38   ---  >16     --       3    76    1        148.66  4.82  P 3        
   39   10    0      --       2     1    6        148.36  2.91  P 31       
   40   11    0      --       1     1    5        148.26  2.47  P 32       
   41   12    0      --       2     1    7        148.09  2.37  P 31       
   42   13    0      --       2     1    8        147.50  2.41  P 31       
   43   14    0      --       2     1    9        147.38  2.44  P 31       
   44   15    0      --       2     2    1        147.17  3.11  P 31       
   45   16    0      --       2     1   10        146.98  2.44  P 31       
   46   17    0      --       1     1    6        146.94  2.61  P 32       
   47   18    0      --       1     1    7        146.92  2.67  P 32       
   48   19    0      --       2     2    2        146.89  3.49  P 31       
   49   20    0      --       2     1   11        146.77  2.49  P 31       
   50   21    0      --       2     1   12        146.64  2.42  P 31       
   51   ---  >16     --       3    31    1        146.43  3.98  P 3        
   52   ---  >16     --       3    13    1        146.32  3.91  P 3        
   53   22    0      --       2     1   13        146.19  2.50  P 31       
   54   ---  >16     --       3    34    1        146.15  3.90  P 3        
   55   23    0      --       2     1   14        145.78  2.51  P 31       
   56   ---  >16     --       3    11    1        145.62  4.04  P 3        
   57   24    0      --       2     1   15        145.34  2.43  P 31       
   58   25    0      --       2     1   16        145.13  2.31  P 31       
   59   26    0      --       1     1    8        145.01  2.02  P 32       
   60   27    0      --       1     1    9        145.00  2.29  P 32       
   61   28    0      --       1     1   10        144.98  2.07  P 32       
   62   ---  >16     --       3    55    1        144.90  4.54  P 3        
   63   ---  >16     --       3    39    1        144.79  4.16  P 3        
   64   ---  >16     --       3    64    1        144.71  4.36  P 3        
   65   29    0      --       2     1   17        144.52  2.10  P 31       
   66   30    0      --       1     2    1        144.46  3.56  P 32       
   67   31    0      --       1     2    2        144.20  2.99  P 32       
   68   ---  >16     --       3    46    1        144.08  4.04  P 3        
   69   32    0      --       1     2    3        143.99  3.09  P 32       
   70   33    0      --       1     1   11        143.97  2.38  P 32       
   71   34    0      --       2     2    3        143.61  3.27  P 31       
   72   35    0      --       2     1   18        143.60  2.23  P 31       
   73   36    0      --       2     1   19        143.57  2.30  P 31       
   74   37    0      --       1     1   12        143.57  2.01  P 32       

   37 accepted of 74 solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 9 mins 23.05 secs (    563.05 secs)
Finished: Thu Apr 21 17:55:12 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING             2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   2.72  34.48 (9072)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (9072)
                               - half number of centrics (0/2)
                             = -9072
   With correction for SigF,
      Wilson log(likelihood) = -7830.15

----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION      : REFINE
   TRANSLATION   : REFINE
   BFACTOR       : REFINE
   MODEL VRMS    : FIX
   MAP CELL SCALE: FIX
   MAP OFACTOR   : FIX
   LAST ONLY     : FALSE

   There are 37 solutions to refine
   Spreading calculation onto 2 threads.
   Refining solutions
   0%                  100%
   |====================| DONE


   REFINING SET #1 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.12  0.80  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.13  1.30 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         152.287               163.497                11.210

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #2 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.10  0.20  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.10  0.70 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         151.487               167.375                15.889

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #3 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.29  0.14  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.29  0.64 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         151.424               161.069                 9.645

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29  0.64 -0.01 BFAC 
    0.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #4 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.09  0.45  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.09  0.95 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         150.596               166.926                16.331

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #5 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.06  0.26  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         150.034               165.870                15.836

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #6 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.32  0.17  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.33  0.67 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         149.786               170.547                20.762

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.3  140.5 FRAC  0.32  0.17  0.00 BFAC 
    0.07
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.2  138.2 FRAC  0.32  0.67 -0.01 BFAC 
    0.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #7 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.22  0.09  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.23  0.59 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         149.528               162.161                12.633

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #8 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  0.30  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  0.80 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         149.333               160.710                11.377

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #9 OF 37
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.26  0.78  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.26  1.28 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         149.293               167.359                18.066

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #10 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.21  0.39  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.21  0.89 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         148.666               177.277                28.611

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #11 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  0.75  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  1.25 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         147.938               157.109                 9.171

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #12 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.16  0.39  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.16  0.89 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         148.084               160.774                12.690

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #13 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.09  0.86  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.09  1.36 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         147.250               158.531                11.281

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #14 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  0.51  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  1.01 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         147.703               170.548                22.845

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #15 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.03  0.27  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.03  0.77 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         147.023               166.229                19.206

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04  0.77 -0.01 BFAC 
    0.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #16 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.18  0.94  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.18  1.44 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         147.046               158.364                11.317

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #17 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.12  0.70  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.13  1.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         147.383               165.536                18.153

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #18 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.25  0.55  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.25  1.05 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         146.999               164.167                17.168

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #19 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.09  0.61  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.09  1.11 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         146.764               161.144                14.380

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  181.1   67.9  325.4 FRAC  0.09  0.61  0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  181.6   68.1  324.2 FRAC  0.09  1.11 -0.01 BFAC 
    0.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   REFINING SET #20 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.08  0.41  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.08  0.91 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         146.616               159.246                12.630

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #21 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.19  0.97  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.19  1.47 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         146.719               166.223                19.504

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #22 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.31  0.66  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.31  1.16 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         146.876               163.164                16.288

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #23 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.31  0.51  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.31  1.01 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 19 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         146.027               166.905                20.878

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #24 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.14  0.57  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.14  1.07 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         145.558               157.684                12.126

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #25 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.15  0.06  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.15  0.56 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 14 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         145.521               163.831                18.310

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #26 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.21  0.57  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.21  1.07 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 14 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.947               161.961                17.013

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #27 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.26  0.28  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.26  0.78 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 17 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.999               169.500                24.501

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #28 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.06  0.57  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.06  1.07 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 17 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         145.238               161.727                16.489

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #29 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  0.60  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  1.10 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.622               156.731                12.109

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #30 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.18  0.53  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.18  1.03 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.602               165.209                20.607

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  180.8   68.0  323.8 FRAC  0.18  0.53  0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.5  323.1 FRAC  0.18  1.03 -0.01 BFAC 
    0.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #31 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.21  0.04  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.21  0.54 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.475               160.399                15.925

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  181.7   67.2  324.9 FRAC  0.21  0.05  0.00 BFAC 
    0.18
   SOLU 6DIM ENSE ensemble1 EULER  182.7   67.6  323.8 FRAC  0.21  0.55 -0.01 BFAC 
    0.18
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #32 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.01  0.82  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.01  1.32 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.540               155.842                11.303

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  180.9   67.1  325.6 FRAC  0.01  0.82  0.00 BFAC 
    0.79
   SOLU 6DIM ENSE ensemble1 EULER  182.1   67.7  325.0 FRAC  0.01  1.32 -0.01 BFAC 
    0.79
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #33 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  0.11  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.00  0.61 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 16 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.056               162.666                18.609

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #34 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.16  0.75  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  182.7   68.0  325.1 FRAC  0.16  1.25 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         143.910               161.572                17.662

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #35 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.16  0.04  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.16  0.54 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         143.624               164.518                20.894

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #36 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.26  0.82  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.26  1.32 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 19 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         143.771               168.665                24.894

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #37 OF 37
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.09  0.14  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.8  108.0  140.2 FRAC  0.09  0.64 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         144.157               156.924                12.768

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

---------------
TFZ EQUIVALENTS
---------------

   Translational NCS present
   Refined TFZ equivalent not accurate and therefore not calculated

$TABLE : Refinement After Placing Component #2 (ensemble1  2.72A) :
$GRAPHS 
:Solution Number vs LL-gain:AUTO:1,2,3: :Solution Number vs R-value:AUTO:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1     177.97     148.36 76.15 77.84
2     171.11     147.38 76.46 77.81
3     170.93     149.36 76.44 77.66
4     170.42     145.00 76.87 77.26
5     168.77     143.57 77.48 77.80
6     166.99     151.34 76.67 77.83
7     166.80     148.90 76.95 77.20
8     166.62     150.14 76.86 77.24
9     166.20     149.89 76.90 78.01
10     166.09     147.17 77.32 77.13
11     166.04     145.78 76.82 77.66
12     166.02     146.64 76.86 77.76
13     165.54     146.94 76.99 77.71
14     164.83     145.13 77.44 77.74
15     164.31     146.92 76.53 77.46
16     164.13     143.60 77.02 77.66
17     163.81     144.46 77.54 77.79
18     163.24     151.86 77.67 78.06
19     162.88     143.97 77.27 78.39
20     162.72     146.19 77.01 77.92
21     162.31     149.26 77.17 77.23
22     162.23     143.61 77.43 77.88
23     161.60     150.93 77.27 77.70
24     161.38     145.01 76.90 78.53
25     161.29     144.98 76.77 77.75
26     161.09     146.89 77.10 77.37
27     161.03     148.09 77.14 77.31
28     160.57     148.98 76.66 77.26
29     160.40     144.20 77.58 77.37
30     159.08     146.77 77.98 77.84
31     158.66     146.98 77.78 77.56
32     157.71     147.50 76.77 77.08
33     157.55     145.34 77.17 77.50
34     157.45     148.26 77.56 77.80
35     156.41     144.52 77.57 78.01
36     156.27     143.99 78.09 77.89
37     156.23     143.57 76.91 78.33
$$
---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 2 threads.
   Calculating Duplicates for 37 solutions
   0%                  100%
   |====================| DONE

   One duplicate solution found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison


---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG = 177.971
   Mean LLG = 67.2318
   Percent used for purge = 75%
      Cutoff for acceptance = 150.3
   All Z-scores over 8 retained
      Number high TFZ retained = 0
   Overall cutoff for acceptance (excluding high TFZ) = 156.2
   Number of solutions stored before purge = 37
   Number of solutions stored (deleted) after purge = 37 (0)

-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   Refinement to full resolution
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   10          148.4 77.8  2.9        178.0 76.2  n/a   P 31         1.066
   2    ---   14          147.4 77.8  2.7        171.1 76.5  n/a   P 31         1.005
   ---  2     6           149.4 77.7  2.7        170.9 76.4  n/a   P 31         1.005
   3    ---   27          145.0 77.3  2.3        170.4 76.9  n/a   P 32         1.016
   4    ---   36          143.6 77.8  2.3        168.8 77.5  n/a   P 31         1.018
   5    ---   2           151.3 77.8  3.0        167.0 76.7  n/a   P 31         1.002
   6    ---   9           148.9 77.2  2.6        166.8 76.9  n/a   P 32         1.002
   7    ---   4           150.1 77.2  2.7        166.6 76.9  n/a   P 32         1.004
   8    ---   5           149.9 78.0  2.7        166.2 76.9  n/a   P 32         1.001
   9    ---   15          147.2 77.1  3.1        166.1 77.3  n/a   P 31         1.001
   10   ---   23          145.8 77.7  2.5        166.0 76.8  n/a   P 31         1.000
   11   ---   21          146.6 77.8  2.4        166.0 76.9  n/a   P 31         1.005
   12   ---   17          146.9 77.7  2.6        165.5 77.0  n/a   P 32         1.007
   13   ---   25          145.1 77.7  2.3        164.8 77.4  n/a   P 31         1.005
   14   ---   18          146.9 77.5  2.7        164.3 76.5  n/a   P 32         1.002
   15   ---   35          143.6 77.7  2.2        164.1 77.0  n/a   P 31         1.003
   16   ---   30          144.5 77.8  3.6        163.8 77.5  n/a   P 32         1.006
   17   ---   1           151.9 78.1  3.0        163.2 77.7  n/a   P 31         1.004
   18   ---   33          144.0 78.4  2.4        162.9 77.3  n/a   P 32         1.002
   19   ---   22          146.2 77.9  2.5        162.7 77.0  n/a   P 31         1.004
   20   ---   7           149.3 77.2  2.3        162.3 77.2  n/a   P 32         1.001
   21   ---   34          143.6 77.9  3.3        162.2 77.4  n/a   P 31         1.007
   22   ---   3           150.9 77.7  2.9        161.6 77.3  n/a   P 31         1.002
   23   ---   26          145.0 78.5  2.0        161.4 76.9  n/a   P 32         1.001
   24   ---   28          145.0 77.7  2.1        161.3 76.8  n/a   P 32         1.002
   25   ---   19          146.9 77.4  3.5        161.1 77.1  n/a   P 31         1.001
   26   ---   12          148.1 77.3  2.4        161.0 77.1  n/a   P 31         1.005
   27   ---   8           149.0 77.3  2.4        160.6 76.7  n/a   P 31         1.002
   28   ---   31          144.2 77.4  3.0        160.4 77.6  n/a   P 32         1.014
   29   ---   20          146.8 77.8  2.5        159.1 78.0  n/a   P 31         1.005
   30   ---   16          147.0 77.6  2.4        158.7 77.8  n/a   P 31         1.010
   31   ---   13          147.5 77.1  2.4        157.7 76.8  n/a   P 31         1.002
   32   ---   24          145.3 77.5  2.4        157.6 77.2  n/a   P 31         1.001
   33   ---   11          148.3 77.8  2.5        157.5 77.6  n/a   P 32         1.012
   34   ---   29          144.5 78.0  2.1        156.4 77.6  n/a   P 31         1.002
   35   ---   32          144.0 77.9  3.1        156.3 78.1  n/a   P 32         1.001
   36   ---   37          143.6 78.3  2.0        156.2 76.9  n/a   P 32          n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (37 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   ensemble1            1   0.362   +0.317/+0.317    ( 0.670/ 0.670 )


------------
OUTPUT FILES
------------

   A sharpening B-factor of 100% of the isotropic B-factor in the direction of
   smallest falloff (i.e. highest resolution) has been added to the anisotropically
   corrected structure factors (FWT,DELFWT)

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   No files output


CPU Time: 0 days 0 hrs 9 mins 53.89 secs (    593.89 secs)
Finished: Thu Apr 21 17:55:29 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Current is Best Solution (first search)
** Current solution has 2 components
** New Best LLG = 178.0 (resolution = 2.72)
** Best Component so far = ensemble1 

CPU Time: 0 days 0 hrs 9 mins 53.89 secs (    593.89 secs)
Finished: Thu Apr 21 17:55:29 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

   First component placed

CPU Time: 0 days 0 hrs 9 mins 53.89 secs (    593.89 secs)
Finished: Thu Apr 21 17:55:29 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Search: Next component
** Search Order (next search *) (placed +):
**    #1   ensemble1 +
**    #2   ensemble1 *
**    #3   ensemble1 

CPU Time: 0 days 0 hrs 9 mins 53.90 secs (    593.90 secs)
Finished: Thu Apr 21 17:55:29 2016

*************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                2.6.1 ***
*************************************************************************************

   Resolution of Data:    2.722
   Number of Reflections: 9368
   eLLG Target:           120

   Currently Placed Ensembles
   --------------------------
      # 1 ensemble1
      # 2 ensemble1

   eLLG Values Computed for All Data
   ---------------------------------
   target-reso: Resolution to achieve target eLLG of 120
   eLLG-when-added: eLLG of this component when added to already placed components
   Ensemble                    frac-scat     rms        reso  eLLG-when-added
   ensemble1                      0.17     0.362        2.72            550.0 

   Resolution for eLLG target
   --------------------------
   Ensemble                   eLLG-target  target-reso
   ensemble1                       120.00        3.942  

CPU Time: 0 days 0 hrs 9 mins 54.00 secs (    594.00 secs)
Finished: Thu Apr 21 17:55:29 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                  2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------


   High resolution limit unaltered by RMS of ensemble
   High resolution limit lowered by expected LLG =  3.94


   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   3.94  34.48 (3045)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (3045)
                               - half number of centrics (0/2)
                             = -3045
   With correction for SigF,
      Wilson log(likelihood) = -2338.84

----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

-----------------
ROTATION FUNCTION
-----------------

   Elmn for Search Ensemble
   Spreading calculation onto 2 threads.
   Elmn Calculation for Search Ensemble
   0%                                                             100%
   |==============================================================| DONE

   Target Function: FAST LERF1

--------------------------
ROTATION FUNCTION #1 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=178
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=178
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 393 sites over 67.5% of top
   393 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      160.0   85.6   44.5    100.000  3.78
   2      283.0   85.4   43.5     96.573  3.65
   3       37.1   85.8   45.4     95.688  3.62
   #Sites = 393: output truncated to 3 sites

   Top 393 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #1 of 36
   0%                                                                 100%
   |==================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #1 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -16.4578   ( 3.91)


   New Top (ML) Rotation Function Score (RFZ) = -16.46 (RFZ=3.9) at RF #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 48 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      133.5   77.1   47.2    -16.458  3.91   0.0      5     62.324/    80.486
   2       36.3   77.2   47.6    -19.589  3.67  97.1     11     91.015/    95.688
   3      253.3   23.6  167.1    -21.649  3.52 150.6      1     65.948/    65.948
   #SITES = 48: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #2 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=171
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=171
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 460 sites over 67.5% of top
   460 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.66
   2       37.1   85.8   45.4     98.581  3.61
   3      160.0   85.6   44.5     98.433  3.60
   #Sites = 460: output truncated to 3 sites

   Top 460 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #2 of 36
   0%                                                         100%
   |==========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #2 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -11.3515   ( 4.19)


   New Top (ML) Rotation Function Score (RFZ) = -11.35 (RFZ=4.2) at RF #2

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 45 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -11.351  4.19   0.0      3     58.760/    73.103
   2      290.3  105.3  224.9    -17.081  3.76 176.8      2     82.976/    82.976
   3       45.4   76.5   44.2    -18.206  3.67 162.5      8     90.428/    98.581
   #SITES = 45: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #3 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 486 sites over 67.5% of top
   486 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.62
   2      270.3   77.8   49.9     96.865  3.51
   3       28.1   94.7  230.3     95.639  3.46
   #Sites = 486: output truncated to 3 sites

   Top 486 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #3 of 36
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #3 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -15.785   ( 3.84)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 56 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -15.785  3.84   0.0      3     61.190/    72.373
   2      133.5   77.1   47.2    -16.620  3.77 101.4      6     62.715/    85.780
   3      290.3  105.3  224.9    -18.514  3.63 176.8      2     82.564/    82.564
   #SITES = 56: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #4 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=169
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=169
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 388 sites over 67.5% of top
   388 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.82
   2      270.3   77.8   49.9     96.396  3.68
   3       36.3   77.2   47.6     94.496  3.61
   #Sites = 388: output truncated to 3 sites

   Top 388 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #4 of 36
   0%                                                                100%
   |=================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #4 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -11.604   ( 4.20)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 41 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -11.604  4.20   0.0      2     55.925/    68.174
   2       36.3   77.2   47.6    -13.937  4.03 170.9      7     94.496/    94.496
   3      133.5   77.1   47.2    -16.909  3.81 101.4      2     58.474/    58.474
   #SITES = 41: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #5 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 433 sites over 67.5% of top
   433 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.71
   2      270.3   77.8   49.9     96.907  3.60
   3       28.1   94.7  230.3     94.817  3.52
   #Sites = 433: output truncated to 3 sites

   Top 433 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #5 of 36
   0%                                                                        100%
   |=========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #5 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  0.529024   ( 4.14)


   New Top (ML) Rotation Function Score (RFZ) = 0.53 (RFZ=4.1) at RF #5

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 40 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8     0.5290  4.14   0.0      2     57.005/    68.715
   2       28.3   86.6   48.0    -2.2217  3.93 178.6      2     79.765/    79.765
   3       36.3   77.2   47.6    -5.1926  3.70 170.9      9     93.715/    93.715
   #SITES = 40: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #6 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 441 sites over 67.5% of top
   441 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.75
   2      270.3   77.8   49.9     95.281  3.57
   3       36.3   77.2   47.6     94.073  3.53
   #Sites = 441: output truncated to 3 sites

   Top 441 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #6 of 36
   0%                                                                         100%
   |==========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #6 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -2.48411   ( 4.23)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 37 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -2.4841  4.23   0.0      2     55.931/    69.255
   2       36.3   77.2   47.6   -10.9418  3.62 170.9      6     94.073/    94.073
   3       28.3   86.6   48.0   -11.6964  3.56 178.6      5     74.954/    81.047
   #SITES = 37: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #7 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 470 sites over 67.5% of top
   470 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.71
   2       36.3   77.2   47.6     96.920  3.59
   3      160.0   85.6   44.5     96.806  3.59
   #Sites = 470: output truncated to 3 sites

   Top 470 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #7 of 36
   0%                                                          100%
   |===========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #7 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -6.76174   ( 4.01)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 47 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -6.7617  4.01   0.0      2     54.897/    73.918
   2      195.1   76.2  204.7    -9.6307  3.79 143.6      1     61.309/    61.309
   3       36.3   77.2   47.6   -10.1468  3.75 170.9      5     96.920/    96.920
   #SITES = 47: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #8 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 411 sites over 67.5% of top
   411 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.76
   2       36.3   77.2   47.6     95.508  3.59
   3      162.4   76.7   45.4     95.223  3.58
   #Sites = 411: output truncated to 3 sites

   Top 411 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #8 of 36
   0%                                                                    100%
   |=====================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #8 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -4.6161   ( 4.12)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 37 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -4.6161  4.12   0.0      3     57.192/    71.496
   2       36.3   77.2   47.6   -10.3338  3.70 170.9      6     95.508/    95.508
   3      290.3  105.3  224.9   -11.1438  3.64 176.8      2     80.900/    80.900
   #SITES = 37: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #9 OF 36
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04  0.77 -0.01 BFAC 
    0.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 534 sites over 67.5% of top
   534 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       67.3   96.2  225.2    100.000  3.50
   2      198.2   94.2  231.6     99.413  3.48
   3      313.8   96.4  224.3     99.083  3.47
   #Sites = 534: output truncated to 3 sites

   Top 534 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #9 of 36
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #9 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -23.0281   ( 3.93)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 55 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      290.3  105.3  224.9    -23.028  3.93   0.0      3     89.107/    89.107
   2      221.7   77.9   50.1    -25.697  3.73 174.0      1     63.804/    63.804
   3       34.3   64.1   64.4    -27.537  3.59 160.5      2     56.730/    56.730
   #SITES = 55: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #10 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 405 sites over 67.5% of top
   405 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      283.0   85.4   43.5    100.000  3.76
   2      153.3   77.5   48.8     98.772  3.72
   3      160.0   85.6   44.5     98.704  3.72
   #Sites = 405: output truncated to 3 sites

   Top 405 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #10 of 36
   0%                                                                   100%
   |====================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #10 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -5.46623   ( 4.19)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -5.4662  4.19   0.0      2     55.619/    70.420
   2       45.9   85.3   42.6   -11.0033  3.78 164.7      1     96.666/    96.666
   3       36.3   77.2   47.6   -11.0969  3.77 170.9      4     92.790/    92.790
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #11 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 361 sites over 67.5% of top
   361 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.86
   2      270.3   77.8   49.9     94.901  3.66
   3       36.3   77.2   47.6     94.136  3.63
   #Sites = 361: output truncated to 3 sites

   Top 361 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #11 of 36
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #11 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -21.4716   ( 3.87)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      133.5   77.1   47.2    -21.472  3.87   0.0      4     61.848/    81.804
   2       45.4   76.5   44.2    -23.759  3.70  88.8      6     86.792/    94.136
   3       18.8  106.0  218.5    -23.910  3.69 178.1      2     58.141/    71.304
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #12 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 381 sites over 67.5% of top
   381 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.82
   2       36.3   77.2   47.6     94.939  3.63
   3      270.3   77.8   49.9     94.475  3.61
   #Sites = 381: output truncated to 3 sites

   Top 381 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #12 of 36
   0%                                                               100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #12 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -6.54636   ( 3.88)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 53 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      133.5   77.1   47.2    -6.5464  3.88   0.0      5     60.690/    82.461
   2       36.3   77.2   47.6    -8.7484  3.72  97.1      7     94.939/    94.939
   3       28.3   86.6   48.0   -10.5341  3.58 105.4      2     75.651/    75.651
   #SITES = 53: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #13 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 510 sites over 67.5% of top
   510 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.61
   2      311.7   93.9  232.4     99.644  3.60
   3      160.0   85.6   44.5     97.190  3.51
   #Sites = 510: output truncated to 3 sites

   Top 510 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #13 of 36
   0%                                                               100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #13 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -10.7216   ( 4.10)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 43 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -10.722  4.10   0.0      2     59.752/    71.057
   2       36.3   77.2   47.6    -14.294  3.84 170.9     10     96.397/    96.397
   3      290.3  105.3  224.9    -16.645  3.66 176.8      2     84.448/    84.448
   #SITES = 43: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #14 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=164
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=164
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 501 sites over 67.5% of top
   501 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.66
   2      160.0   85.6   44.5     95.425  3.49
   3       36.3   77.2   47.6     95.205  3.48
   #Sites = 501: output truncated to 3 sites

   Top 501 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #14 of 36
   0%                                                              100%
   |===============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #14 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -10.6999   ( 3.97)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 50 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      133.5   77.1   47.2    -10.700  3.97   0.0      5     63.140/    86.654
   2      188.3  126.4  342.8    -11.350  3.92 101.4      3     54.307/    69.173
   3      328.3  161.4  331.4    -13.871  3.72 136.2      3     79.150/    79.150
   #SITES = 50: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #15 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 421 sites over 67.5% of top
   421 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.79
   2      270.3   77.8   49.9     94.884  3.60
   3       36.3   77.2   47.6     92.869  3.52
   #Sites = 421: output truncated to 3 sites

   Top 421 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #15 of 36
   0%                                                                      100%
   |=======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #15 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -11.0188   ( 4.23)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 35 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -11.019  4.23   0.0      3     57.654/    72.680
   2       36.3   77.2   47.6    -17.850  3.72 170.9      5     92.869/    92.869
   3      133.5   77.1   47.2    -18.363  3.68 101.4      2     57.768/    58.301
   #SITES = 35: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #16 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.6 +TNCS PAK=0 LLG=164
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.6 +TNCS PAK=0 LLG=164
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  180.8   68.0  323.8 FRAC  0.18  0.53  0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.5  323.1 FRAC  0.18  1.03 -0.01 BFAC 
    0.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 441 sites over 67.5% of top
   441 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       67.3   96.2  225.2    100.000  3.66
   2      198.2   94.2  231.6     94.816  3.47
   3      313.8   96.4  224.3     94.062  3.45
   #Sites = 441: output truncated to 3 sites

   Top 441 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #16 of 36
   0%                                                                         100%
   |==========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #16 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -29.3585   ( 3.87)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 46 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      195.1   76.2  204.7    -29.358  3.87   0.0      1     61.798/    61.798
   2      290.3  105.3  224.9    -30.922  3.76  99.7      2     78.272/    78.272
   3       28.3   86.6   48.0    -34.753  3.48 165.9      1     63.301/    63.301
   #SITES = 46: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #17 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 374 sites over 67.5% of top
   374 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.83
   2      311.7   93.9  232.4     96.167  3.69
   3       36.3   77.2   47.6     95.042  3.64
   #Sites = 374: output truncated to 3 sites

   Top 374 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #17 of 36
   0%                                                              100%
   |===============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #17 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -16.5644   ( 3.91)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      133.5   77.1   47.2    -16.564  3.91   0.0      1     57.052/    57.052
   2       36.3   77.2   47.6    -17.958  3.81  97.1      1     95.042/    95.042
   3       45.9   85.3   42.6    -21.222  3.56  88.7      4     91.338/    91.338
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #18 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=163
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=163
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 409 sites over 67.5% of top
   409 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.75
   2      270.3   77.8   49.9     94.733  3.55
   3       36.3   77.2   47.6     94.149  3.53
   #Sites = 409: output truncated to 3 sites

   Top 409 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #18 of 36
   0%                                                                    100%
   |=====================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #18 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -19.1881   ( 3.99)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 46 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -19.188  3.99   0.0      4     55.487/    77.754
   2       36.3   77.2   47.6    -20.641  3.88 170.9      6     94.149/    94.149
   3      133.5   77.1   47.2    -21.800  3.80 101.4      4     60.960/    83.197
   #SITES = 46: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #19 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=163
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=163
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 423 sites over 67.5% of top
   423 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.70
   2      160.0   85.6   44.5     97.527  3.61
   3      270.3   77.8   49.9     96.120  3.56
   #Sites = 423: output truncated to 3 sites

   Top 423 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #19 of 36
   0%                                                                      100%
   |=======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #19 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -11.6473   ( 4.07)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 35 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -11.647  4.07   0.0      2     57.135/    70.542
   2      133.5   77.1   47.2    -17.117  3.66 101.4      4     63.015/    86.717
   3       36.3   77.2   47.6    -17.960  3.60 170.9      6     92.765/    95.524
   #SITES = 35: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #20 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 400 sites over 67.5% of top
   400 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.80
   2      270.3   77.8   49.9     95.279  3.62
   3       36.3   77.2   47.6     95.177  3.61
   #Sites = 400: output truncated to 3 sites

   Top 400 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #20 of 36
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #20 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -7.318   ( 4.05)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 41 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -7.3180  4.05   0.0      3     54.294/    68.125
   2      133.5   77.1   47.2    -9.1124  3.91 101.4      4     59.229/    77.186
   3       36.3   77.2   47.6   -10.9491  3.77 170.9      7     95.177/    95.177
   #SITES = 41: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #21 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 450 sites over 67.5% of top
   450 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      311.7   93.9  232.4    100.000  3.65
   2       67.3   96.2  225.2     97.197  3.55
   3      198.2   94.2  231.6     93.251  3.41
   #Sites = 450: output truncated to 3 sites

   Top 450 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #21 of 36
   0%                                                                           100%
   |============================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #21 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -24.1176   ( 3.99)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      290.3  105.3  224.9    -24.118  3.99   0.0      2     83.180/    83.180
   2      195.1   76.2  204.7    -27.538  3.74  99.7      1     66.833/    66.833
   3       45.4   76.5   44.2    -34.195  3.25 178.1      4     82.375/    86.474
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #22 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=162
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=162
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29  0.64 -0.01 BFAC 
    0.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 344 sites over 67.5% of top
   344 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.91
   2       36.3   77.2   47.6     95.207  3.72
   3      270.3   77.8   49.9     92.833  3.63
   #Sites = 344: output truncated to 3 sites

   Top 344 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #22 of 36
   0%                                                         100%
   |==========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #22 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -13.0037   ( 4.04)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 43 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       36.3   77.2   47.6    -13.004  4.04   0.0     11     95.207/    95.207
   2       30.4  107.1   23.3    -20.180  3.51  38.7      1     60.531/    60.531
   3      290.3  105.3  224.9    -20.366  3.50 179.6      2     69.681/    69.681
   #SITES = 43: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #23 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=161
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=161
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 420 sites over 67.5% of top
   420 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.73
   2      311.7   93.9  232.4     96.178  3.59
   3      270.3   77.8   49.9     95.242  3.55
   #Sites = 420: output truncated to 3 sites

   Top 420 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #23 of 36
   0%                                                                      100%
   |=======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #23 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -13.1373   ( 3.99)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 43 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -13.137  3.99   0.0      2     55.307/    67.039
   2      133.5   77.1   47.2    -16.353  3.75 101.4      3     65.972/    86.934
   3       28.3   86.6   48.0    -17.526  3.67 178.6      2     74.814/    74.814
   #SITES = 43: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #24 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 474 sites over 67.5% of top
   474 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.67
   2      160.0   85.6   44.5     96.629  3.55
   3       36.3   77.2   47.6     96.322  3.54
   #Sites = 474: output truncated to 3 sites

   Top 474 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #24 of 36
   0%                                                           100%
   |============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #24 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -14.9755   ( 4.03)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -14.976  4.03   0.0      2     58.807/    67.786
   2       36.3   77.2   47.6    -18.079  3.80 170.9      5     96.322/    96.322
   3       28.3   86.6   48.0    -19.328  3.71 178.6      9     76.751/    95.000
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #25 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.5 +TNCS PAK=0 LLG=161
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.5 +TNCS PAK=0 LLG=161
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  181.1   67.9  325.4 FRAC  0.09  0.61  0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  181.6   68.1  324.2 FRAC  0.09  1.11 -0.01 BFAC 
    0.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 578 sites over 67.5% of top
   578 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      311.7   93.9  232.4    100.000  3.47
   2      313.8   96.4  224.3     99.855  3.46
   3      198.2   94.2  231.6     97.812  3.39
   #Sites = 578: output truncated to 3 sites

   Top 578 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #25 of 36
   0%                                                                        100%
   |=========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #25 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -32.042   ( 3.76)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 60 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      290.3  105.3  224.9    -32.042  3.76   0.0      2     93.028/    93.028
   2      126.5  121.4  257.7    -38.337  3.31 177.3      1     76.952/    76.952
   3      195.1   76.2  204.7    -38.748  3.28  99.7      1     63.071/    63.071
   #SITES = 60: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #26 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 387 sites over 67.5% of top
   387 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.79
   2      160.0   85.6   44.5     98.009  3.72
   3       37.1   85.8   45.4     97.289  3.69
   #Sites = 387: output truncated to 3 sites

   Top 387 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #26 of 36
   0%                                                                100%
   |=================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #26 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -14.7214   ( 3.83)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 55 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      133.5   77.1   47.2    -14.721  3.83   0.0      5     64.785/    85.933
   2      188.3  126.4  342.8    -14.790  3.82 101.4      3     56.303/    68.978
   3       28.3   86.6   48.0    -15.109  3.80 105.4      4     78.710/    78.710
   #SITES = 55: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #27 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 460 sites over 67.5% of top
   460 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      311.7   93.9  232.4    100.000  3.67
   2      153.3   77.5   48.8     97.333  3.58
   3      270.3   77.8   49.9     92.951  3.41
   #Sites = 460: output truncated to 3 sites

   Top 460 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #27 of 36
   0%                                                         100%
   |==========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #27 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -11.083   ( 3.95)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 54 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -11.083  3.95   0.0      1     55.500/    55.500
   2      133.5   77.1   47.2    -14.646  3.68 101.4      2     58.085/    58.085
   3       36.3   77.2   47.6    -14.705  3.68 170.9      8     91.099/    91.099
   #SITES = 54: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #28 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=160
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=160
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  181.7   67.2  324.9 FRAC  0.21  0.05  0.00 BFAC 
    0.18
   SOLU 6DIM ENSE ensemble1 EULER  182.7   67.6  323.8 FRAC  0.21  0.55 -0.01 BFAC 
    0.18
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 502 sites over 67.5% of top
   502 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       67.3   96.2  225.2    100.000  3.50
   2      180.8   96.0  226.1     99.309  3.48
   3       65.1   93.5  233.2     97.464  3.42
   #Sites = 502: output truncated to 3 sites

   Top 502 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #28 of 36
   0%                                                              100%
   |===============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #28 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -35.5632   ( 3.57)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 64 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      290.3  105.3  224.9    -35.563  3.57   0.0      3     84.991/    84.991
   2      195.1   76.2  204.7    -38.143  3.38  99.7      1     59.964/    59.964
   3      333.7  159.2  357.8    -39.571  3.28 112.1      4     59.492/    79.294
   #SITES = 64: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #29 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 400 sites over 67.5% of top
   400 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      160.0   85.6   44.5    100.000  3.78
   2       37.1   85.8   45.4     99.120  3.74
   3      311.7   93.9  232.4     97.060  3.67
   #Sites = 400: output truncated to 3 sites

   Top 400 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #29 of 36
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #29 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -18.5642   ( 4.02)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 39 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -18.564  4.02   0.0      3     55.431/    72.164
   2       28.3   86.6   48.0    -22.142  3.75 178.6      4     77.536/    77.536
   3      133.5   77.1   47.2    -22.666  3.71 101.4      4     62.035/    85.255
   #SITES = 39: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #30 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 251 sites over 67.5% of top
   251 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  4.12
   2       36.3   77.2   47.6     96.814  3.99
   3      160.0   85.6   44.5     94.922  3.91
   #Sites = 251: output truncated to 3 sites

   Top 251 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #30 of 36
   0%                                                              100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #30 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -18.8319   ( 3.97)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 37 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       28.3   86.6   48.0    -18.832  3.97   0.0      2     76.533/    76.533
   2       36.3   77.2   47.6    -19.988  3.88  12.3      7     96.814/    96.814
   3       29.3   81.5   58.8    -22.484  3.70  12.1      4     68.821/    80.032
   #SITES = 37: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #31 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 504 sites over 67.5% of top
   504 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.63
   2      311.7   93.9  232.4     96.169  3.49
   3       36.3   77.2   47.6     96.135  3.49
   #Sites = 504: output truncated to 3 sites

   Top 504 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #31 of 36
   0%                                                               100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #31 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -10.6936   ( 4.27)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -10.694  4.27   0.0      2     62.399/    71.272
   2      290.3  105.3  224.9    -16.111  3.86 176.8      2     88.788/    88.788
   3       45.4   76.5   44.2    -17.383  3.77 162.5      6     90.848/    96.135
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #32 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 443 sites over 67.5% of top
   443 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.73
   2      160.0   85.6   44.5     97.357  3.63
   3       37.1   85.8   45.4     96.009  3.58
   #Sites = 443: output truncated to 3 sites

   Top 443 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #32 of 36
   0%                                                                         100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #32 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -20.5411   ( 4.11)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 41 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -20.541  4.11   0.0      2     60.208/    72.592
   2       36.3   77.2   47.6    -26.066  3.70 170.9      4     94.503/    94.503
   3      133.5   77.1   47.2    -26.757  3.65 101.4      2     58.434/    58.752
   #SITES = 41: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #33 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 474 sites over 67.5% of top
   474 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.63
   2      160.0   85.6   44.5     98.737  3.58
   3       45.4   76.5   44.2     98.177  3.56
   #Sites = 474: output truncated to 3 sites

   Top 474 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #33 of 36
   0%                                                           100%
   |============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #33 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -11.0629   ( 4.38)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 32 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -11.063  4.38   0.0      2     64.910/    67.683
   2       28.3   86.6   48.0    -19.615  3.74 178.6      2     74.848/    74.848
   3       45.4   76.5   44.2    -20.735  3.66 162.5      8     98.177/    98.177
   #SITES = 32: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #34 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 266 sites over 67.5% of top
   266 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  4.09
   2      270.3   77.8   49.9     97.462  3.99
   3       36.3   77.2   47.6     91.416  3.74
   #Sites = 266: output truncated to 3 sites

   Top 266 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #34 of 36
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #34 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -7.90142   ( 3.85)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 41 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       36.3   77.2   47.6    -7.9014  3.85   0.0      6     91.416/    91.416
   2      290.3  105.3  224.9    -9.9286  3.70 179.6      2     78.739/    78.739
   3       28.3   86.6   48.0   -10.0532  3.69  12.3      7     71.187/    82.902
   #SITES = 41: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #35 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=156
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=156
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  180.9   67.1  325.6 FRAC  0.01  0.82  0.00 BFAC 
    0.79
   SOLU 6DIM ENSE ensemble1 EULER  182.1   67.7  325.0 FRAC  0.01  1.32 -0.01 BFAC 
    0.79
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 486 sites over 67.5% of top
   486 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       67.3   96.2  225.2    100.000  3.61
   2      198.2   94.2  231.6     96.509  3.48
   3      180.8   96.0  226.1     94.535  3.41
   #Sites = 486: output truncated to 3 sites

   Top 486 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #35 of 36
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #35 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -31.6044   ( 3.82)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 52 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      290.3  105.3  224.9    -31.604  3.82   0.0      2     83.373/    83.373
   2      126.5  121.4  257.7    -37.984  3.36 177.3      1     70.401/    70.401
   3      195.1   76.2  204.7    -38.170  3.34  99.7      1     54.244/    54.244
   #SITES = 52: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #36 OF 36
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=156
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling:  8.90 degrees

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=156
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                                     100%
   |======================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%          100%
   |============| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 471 sites over 67.5% of top
   471 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.3   77.5   48.8    100.000  3.67
   2      160.0   85.6   44.5     99.570  3.66
   3      270.3   77.8   49.9     97.038  3.56
   #Sites = 471: output truncated to 3 sites

   Top 471 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #36 of 36
   0%                                                          100%
   |============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #36 of 36
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -17.6185   ( 4.13)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 43 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      188.3  126.4  342.8    -17.619  4.13   0.0      2     56.878/    74.325
   2      133.5   77.1   47.2    -24.293  3.63 101.4      2     59.085/    59.085
   3       36.3   77.2   47.6    -25.020  3.58 170.9      6     93.805/    95.544
   #SITES = 43: OUTPUT TRUNCATED TO 3 SITES


   Rotation Function Table: ensemble1
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1        -16.46   3.91      -19.59   3.67      -21.65   3.52
   2        -11.35   4.19      -17.08   3.76      -18.21   3.67
   3        -15.79   3.84      -16.62   3.77      -18.51   3.63
   4        -11.60   4.20      -13.94   4.03      -16.91   3.81
   5          0.53   4.14       -2.22   3.93       -5.19   3.70
   6         -2.48   4.23      -10.94   3.62      -11.70   3.56
   7         -6.76   4.01       -9.63   3.79      -10.15   3.75
   8         -4.62   4.12      -10.33   3.70      -11.14   3.64
   9        -23.03   3.93      -25.70   3.73      -27.54   3.59
   10        -5.47   4.19      -11.00   3.78      -11.10   3.77
   11       -21.47   3.87      -23.76   3.70      -23.91   3.69
   12        -6.55   3.88       -8.75   3.72      -10.53   3.58
   13       -10.72   4.10      -14.29   3.84      -16.65   3.66
   14       -10.70   3.97      -11.35   3.92      -13.87   3.72
   15       -11.02   4.23      -17.85   3.72      -18.36   3.68
   16       -29.36   3.87      -30.92   3.76      -34.75   3.48
   17       -16.56   3.91      -17.96   3.81      -21.22   3.56
   18       -19.19   3.99      -20.64   3.88      -21.80   3.80
   19       -11.65   4.07      -17.12   3.66      -17.96   3.60
   20        -7.32   4.05       -9.11   3.91      -10.95   3.77
   21       -24.12   3.99      -27.54   3.74      -34.19   3.25
   22       -13.00   4.04      -20.18   3.51      -20.37   3.50
   23       -13.14   3.99      -16.35   3.75      -17.53   3.67
   24       -14.98   4.03      -18.08   3.80      -19.33   3.71
   25       -32.04   3.76      -38.34   3.31      -38.75   3.28
   26       -14.72   3.83      -14.79   3.82      -15.11   3.80
   27       -11.08   3.95      -14.65   3.68      -14.70   3.68
   28       -35.56   3.57      -38.14   3.38      -39.57   3.28
   29       -18.56   4.02      -22.14   3.75      -22.67   3.71
   30       -18.83   3.97      -19.99   3.88      -22.48   3.70
   31       -10.69   4.27      -16.11   3.86      -17.38   3.77
   32       -20.54   4.11      -26.07   3.70      -26.76   3.65
   33       -11.06   4.38      -19.62   3.74      -20.74   3.66
   34        -7.90   3.85       -9.93   3.70      -10.05   3.69
   35       -31.60   3.82      -37.98   3.36      -38.17   3.34
   36       -17.62   4.13      -24.29   3.63      -25.02   3.58


---------------
FINAL SELECTION
---------------


   Select by Percentage of Top value: 75%
   Top RF = 0.529024
   Purge RF mean = -68.9055
   Number of sets stored before final selection = 36
   Number of solutions stored before final selection = 1620
   Number of sets stored (deleted) after final selection = 32 (4)
   Number of solutions stored (deleted) after final selection = 605 (1015)
   Percent used for purge = 60%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 98 (507)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  16    1           -                 48    7           -
      2  14    1           -                 45    18          -
      3  17    2           -                 56    14          -
      4  13    2           -                 41    14          -
      5  10    10          -                 40    40          -
      6  9     9           -                 37    37          -
      7  16    8           -                 47    42          -
      8  8     8           -                 37    37          -
      9  18    0           *                 55    2           -
     10  11    7           -                 38    32          -
     11  15    0           *                 49    8           -
     12  15    11          -                 53    53          -
     13  13    3           -                 43    19          -
     14  17    6           -                 50    25          -
     15  14    1           -                 35    15          -
     16  17    0           *                 46    0           *
     17  17    1           -                 49    12          -
     18  17    0           *                 46    6           -
     19  13    1           -                 35    15          -
     20  12    8           -                 41    37          -
     21  10    0           *                 38    1           -
     22  9     1           -                 43    9           -
     23  13    2           -                 43    16          -
     24  13    1           -                 49    13          -
     25  15    0           *                 60    0           *
     26  21    3           -                 55    19          -
     27  20    4           -                 54    30          -
     28  24    0           *                 64    0           *
     29  14    0           *                 39    7           -
     30  12    0           *                 37    6           -
     31  14    2           -                 38    16          -
     32  12    0           *                 41    3           -
     33  8     1           -                 32    11          -
     34  12    5           -                 41    34          -
     35  19    0           *                 52    0           *
     36  15    0           *                 43    7           -
   ALL   513   98                            1620  605  


$TABLE : Rotation Function Component #3 (ensemble1) :
$GRAPHS 
:RF Number vs LL-gain:AUTO:1,2: :RF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1       0.53  4.14
2      -2.22  3.93
3      -2.48  4.23
4      -4.62  4.12
5      -5.19  3.70
6      -5.47  4.19
7      -6.55  3.88
8      -6.76  4.01
9      -6.99  3.57
10      -7.07  3.56
11      -7.32  4.05
12      -7.90  3.85
13      -8.75  3.72
14      -9.11  3.91
15      -9.39  3.39
16      -9.48  3.38
17      -9.48  3.38
18      -9.63  3.79
19      -9.84  3.35
20      -9.93  3.70
21     -10.05  3.69
22     -10.15  3.75
23     -10.21  3.33
24     -10.26  3.75
25     -10.33  3.70
26     -10.53  3.58
27     -10.69  4.27
28     -10.70  3.97
29     -10.72  4.10
30     -10.92  3.70
31     -10.94  3.62
32     -10.95  3.77
33     -11.00  3.78
34     -11.02  4.23
35     -11.06  4.38
36     -11.08  3.95
37     -11.10  3.77
38     -11.14  3.64
39     -11.35  3.92
40     -11.35  4.19
41     -11.60  4.20
42     -11.65  4.07
43     -11.70  3.56
44     -11.76  3.49
45     -11.76  3.72
46     -12.13  3.68
47     -12.36  3.55
48     -12.38  3.51
49     -12.59  3.53
50     -13.00  3.50
51     -13.00  4.04
52     -13.04  3.49
53     -13.11  3.62
54     -13.14  3.99
55     -13.20  3.10
56     -13.43  3.08
57     -13.59  3.35
58     -13.63  3.35
59     -13.70  3.58
60     -13.72  3.34
61     -13.87  3.72
62     -13.88  3.33
63     -13.92  3.05
64     -13.94  4.03
65     -14.02  3.71
66     -14.07  3.32
67     -14.12  3.31
68     -14.29  3.84
69     -14.29  3.02
70     -14.37  3.38
71     -14.46  3.36
72     -14.50  3.36
73     -14.65  3.68
74     -14.70  3.68
75     -14.72  3.83
76     -14.79  3.82
77     -14.82  3.48
78     -14.87  3.48
79     -14.95  2.97
80     -14.96  3.64
81     -14.97  3.35
82     -14.98  4.03
83     -15.08  2.96
84     -15.11  3.80
85     -15.21  3.31
86     -15.24  2.95
87     -15.25  2.95
88     -15.36  3.63
89     -15.37  3.37
90     -15.39  2.94
91     -15.44  2.93
92     -15.50  2.93
93     -15.68  2.91
94     -15.68  3.27
95     -15.79  3.84
96     -15.83  3.18
97     -15.85  3.57
98     -15.97  3.41
99     -16.03  3.32
100     -16.11  3.86
101     -16.13  3.31
102     -16.29  3.23
103     -16.35  3.75
104     -16.46  3.91
105     -16.53  2.85
106     -16.53  2.85
107     -16.54  3.35
108     -16.56  3.91
109     -16.62  3.77
110     -16.65  3.66
111     -16.75  3.33
112     -16.82  3.20
113     -16.83  3.33
114     -16.84  3.49
115     -16.84  3.67
116     -16.86  3.26
117     -16.87  3.26
118     -16.91  3.81
119     -17.07  3.50
120     -17.08  3.76
121     -17.11  2.81
122     -17.12  3.66
123     -17.13  3.18
124     -17.13  3.47
125     -17.14  2.80
126     -17.21  2.80
127     -17.25  3.62
128     -17.38  3.77
129     -17.43  3.06
130     -17.44  2.78
131     -17.53  3.67
132     -17.54  3.76
133     -17.58  3.27
134     -17.62  4.13
135     -17.70  3.61
136     -17.76  3.12
137     -17.77  3.45
138     -17.82  3.27
139     -17.85  3.72
140     -17.90  3.18
141     -17.92  3.41
142     -17.96  3.81
143     -17.96  3.60
144     -18.00  3.63
145     -18.03  3.26
146     -18.03  3.63
147     -18.08  3.80
148     -18.16  3.42
149     -18.18  3.25
150     -18.20  3.55
151     -18.21  3.67
152     -18.22  3.58
153     -18.28  3.08
154     -18.33  3.00
155     -18.36  3.68
156     -18.48  3.56
157     -18.50  3.40
158     -18.50  3.22
159     -18.51  3.63
160     -18.56  4.02
161     -18.58  3.19
162     -18.63  3.62
163     -18.69  3.12
164     -18.70  3.53
165     -18.71  2.69
166     -18.72  3.51
167     -18.75  2.96
168     -18.80  3.18
169     -18.83  3.97
170     -18.83  3.66
171     -18.89  2.95
172     -18.89  3.05
173     -19.04  3.04
174     -19.08  3.03
175     -19.09  3.35
176     -19.10  2.66
177     -19.10  3.02
178     -19.11  3.32
179     -19.18  3.03
180     -19.19  3.99
181     -19.26  3.01
182     -19.28  3.03
183     -19.30  3.34
184     -19.32  2.64
185     -19.33  3.71
186     -19.36  2.64
187     -19.43  3.07
188     -19.45  3.61
189     -19.46  3.56
190     -19.50  2.63
191     -19.51  3.00
192     -19.52  3.32
193     -19.56  3.01
194     -19.59  3.67
195     -19.62  3.74
196     -19.66  3.56
197     -19.70  2.61
198     -19.73  2.61
199     -19.73  3.58
200     -19.76  3.57
201     -19.79  3.46
202     -19.82  2.88
203     -19.88  3.03
204     -19.89  3.56
205     -19.92  2.97
206     -19.93  3.58
207     -19.99  3.88
208     -20.10  2.58
209     -20.11  3.02
210     -20.15  3.10
211     -20.18  3.51
212     -20.19  3.01
213     -20.24  3.09
214     -20.32  3.55
215     -20.35  3.22
216     -20.37  3.50
217     -20.50  2.92
218     -20.54  4.11
219     -20.56  2.55
220     -20.58  2.93
221     -20.59  3.39
222     -20.60  3.49
223     -20.62  2.91
224     -20.64  3.88
225     -20.64  2.92
226     -20.65  2.92
227     -20.65  3.40
228     -20.74  3.66
229     -20.74  2.92
230     -20.75  3.19
231     -20.75  3.47
232     -20.76  2.53
233     -20.78  2.91
234     -20.79  2.97
235     -20.80  3.05
236     -20.81  3.52
237     -20.81  2.81
238     -20.82  3.48
239     -20.85  2.90
240     -20.86  3.02
241     -20.90  2.52
242     -20.94  3.36
243     -20.96  3.41
244     -20.98  3.37
245     -20.99  2.90
246     -21.02  3.50
247     -21.08  3.44
248     -21.10  3.33
249     -21.11  2.89
250     -21.13  2.88
251     -21.17  3.45
252     -21.19  2.87
253     -21.19  2.88
254     -21.22  3.56
255     -21.26  3.15
256     -21.29  2.87
257     -21.30  2.99
258     -21.31  2.77
259     -21.36  2.86
260     -21.40  2.48
261     -21.40  3.14
262     -21.47  2.86
263     -21.47  2.76
264     -21.47  3.87
265     -21.51  3.54
266     -21.53  3.54
267     -21.56  3.44
268     -21.56  2.75
269     -21.61  3.12
270     -21.62  2.91
271     -21.63  3.12
272     -21.63  2.75
273     -21.65  3.52
274     -21.66  2.96
275     -21.70  2.96
276     -21.71  2.90
277     -21.72  2.98
278     -21.72  2.74
279     -21.72  2.90
280     -21.73  2.74
281     -21.74  3.44
282     -21.75  3.31
283     -21.77  2.89
284     -21.79  3.31
285     -21.80  3.80
286     -21.82  3.42
287     -21.88  2.83
288     -21.90  2.97
289     -21.90  2.83
290     -21.93  3.38
291     -21.96  2.82
292     -21.96  3.50
293     -21.96  3.14
294     -21.97  2.82
295     -21.98  3.26
296     -21.98  2.82
297     -21.99  3.42
298     -22.00  2.88
299     -22.06  2.96
300     -22.07  2.81
301     -22.08  3.50
302     -22.10  3.50
303     -22.14  3.75
304     -22.15  2.71
305     -22.17  3.37
306     -22.18  3.08
307     -22.25  2.86
308     -22.29  3.48
309     -22.31  2.70
310     -22.32  3.38
311     -22.32  2.80
312     -22.35  2.69
313     -22.39  3.39
314     -22.43  2.79
315     -22.46  2.78
316     -22.48  3.70
317     -22.49  3.23
318     -22.49  2.84
319     -22.49  2.78
320     -22.51  2.68
321     -22.55  3.22
322     -22.56  3.34
323     -22.57  3.36
324     -22.58  2.68
325     -22.60  2.89
326     -22.64  3.36
327     -22.66  3.29
328     -22.67  3.71
329     -22.69  3.29
330     -22.74  2.91
331     -22.75  2.88
332     -22.77  2.77
333     -22.78  3.67
334     -22.79  2.66
335     -22.86  3.27
336     -22.89  3.07
337     -22.90  2.76
338     -22.92  3.69
339     -22.93  2.75
340     -22.94  2.75
341     -22.95  2.86
342     -22.95  3.32
343     -22.96  2.75
344     -22.97  3.49
345     -22.98  3.35
346     -22.99  2.75
347     -23.03  3.93
348     -23.06  3.20
349     -23.07  2.74
350     -23.10  2.74
351     -23.11  3.20
352     -23.13  2.79
353     -23.14  2.73
354     -23.18  2.63
355     -23.18  2.87
356     -23.18  3.21
357     -23.19  3.05
358     -23.22  3.05
359     -23.25  3.31
360     -23.25  3.41
361     -23.26  3.41
362     -23.30  3.47
363     -23.31  3.04
364     -23.38  2.83
365     -23.39  2.77
366     -23.39  3.40
367     -23.41  2.72
368     -23.42  2.61
369     -23.44  3.03
370     -23.44  2.72
371     -23.47  3.26
372     -23.50  3.03
373     -23.51  2.77
374     -23.54  3.26
375     -23.55  3.17
376     -23.56  2.85
377     -23.61  2.81
378     -23.61  2.70
379     -23.62  3.14
380     -23.65  2.97
381     -23.67  3.25
382     -23.71  2.84
383     -23.74  2.80
384     -23.76  3.70
385     -23.79  2.75
386     -23.83  2.74
387     -23.84  3.13
388     -23.84  2.79
389     -23.86  3.25
390     -23.89  3.12
391     -23.89  2.68
392     -23.90  3.29
393     -23.91  3.69
394     -23.95  2.68
395     -24.00  2.57
396     -24.01  3.34
397     -24.01  2.67
398     -24.01  2.99
399     -24.07  3.14
400     -24.08  3.22
401     -24.08  2.56
402     -24.10  3.35
403     -24.12  3.99
404     -24.12  2.93
405     -24.14  2.56
406     -24.15  2.66
407     -24.18  3.22
408     -24.19  2.98
409     -24.20  2.55
410     -24.22  2.65
411     -24.26  3.11
412     -24.28  3.26
413     -24.29  3.39
414     -24.29  3.63
415     -24.35  2.65
416     -24.39  2.91
417     -24.40  3.24
418     -24.40  3.65
419     -24.42  3.20
420     -24.43  3.55
421     -24.45  3.20
422     -24.45  2.64
423     -24.47  3.15
424     -24.54  2.53
425     -24.54  2.63
426     -24.54  3.23
427     -24.55  2.69
428     -24.56  2.74
429     -24.58  2.90
430     -24.63  3.21
431     -24.67  3.22
432     -24.67  2.62
433     -24.67  2.62
434     -24.67  2.73
435     -24.69  3.17
436     -24.70  3.29
437     -24.73  2.62
438     -24.73  2.51
439     -24.78  3.22
440     -24.79  3.13
441     -24.79  3.13
442     -24.81  3.29
443     -24.82  2.88
444     -24.83  3.57
445     -24.84  2.93
446     -24.86  3.55
447     -24.87  2.61
448     -24.87  3.57
449     -24.89  3.19
450     -24.97  2.74
451     -24.97  2.50
452     -24.98  2.50
453     -25.02  3.58
454     -25.03  2.65
455     -25.03  2.60
456     -25.07  2.59
457     -25.08  2.59
458     -25.10  2.73
459     -25.12  3.59
460     -25.14  3.27
461     -25.14  2.59
462     -25.14  2.59
463     -25.14  2.59
464     -25.15  3.03
465     -25.15  3.19
466     -25.15  3.06
467     -25.16  3.03
468     -25.16  3.59
469     -25.17  3.19
470     -25.18  2.58
471     -25.18  2.48
472     -25.20  3.04
473     -25.20  2.58
474     -25.22  2.64
475     -25.23  2.64
476     -25.25  3.56
477     -25.26  2.90
478     -25.26  2.64
479     -25.30  2.63
480     -25.34  2.58
481     -25.36  3.18
482     -25.37  2.57
483     -25.38  3.24
484     -25.40  2.57
485     -25.40  2.57
486     -25.41  3.13
487     -25.41  3.31
488     -25.41  2.89
489     -25.41  3.13
490     -25.42  2.71
491     -25.46  3.02
492     -25.53  3.52
493     -25.56  2.45
494     -25.56  3.12
495     -25.56  2.55
496     -25.59  3.11
497     -25.60  3.23
498     -25.62  3.16
499     -25.62  3.56
500     -25.63  2.66
501     -25.64  3.29
502     -25.68  3.10
503     -25.70  3.73
504     -25.71  2.69
505     -25.71  2.44
506     -25.71  2.99
507     -25.72  2.44
508     -25.75  2.86
509     -25.75  3.14
510     -25.77  2.44
511     -25.78  2.86
512     -25.79  2.60
513     -25.84  2.59
514     -25.87  2.59
515     -25.92  2.64
516     -25.92  2.53
517     -25.92  2.53
518     -25.93  3.21
519     -25.94  2.67
520     -25.96  2.63
521     -25.99  2.63
522     -25.99  2.63
523     -25.99  3.27
524     -26.00  2.63
525     -26.03  2.63
526     -26.04  3.46
527     -26.04  2.52
528     -26.06  3.04
529     -26.06  2.52
530     -26.06  2.41
531     -26.06  2.84
532     -26.07  3.70
533     -26.08  3.46
534     -26.09  2.41
535     -26.12  2.78
536     -26.14  3.19
537     -26.14  2.65
538     -26.16  2.57
539     -26.24  3.09
540     -26.24  2.96
541     -26.25  2.50
542     -26.25  2.65
543     -26.27  2.40
544     -26.27  3.06
545     -26.28  2.76
546     -26.30  2.61
547     -26.31  2.50
548     -26.33  3.05
549     -26.38  3.18
550     -26.39  2.50
551     -26.40  3.05
552     -26.46  2.63
553     -26.47  2.81
554     -26.48  2.49
555     -26.48  3.09
556     -26.50  3.47
557     -26.51  2.38
558     -26.52  2.94
559     -26.52  3.23
560     -26.53  2.49
561     -26.54  2.54
562     -26.56  3.09
563     -26.57  2.80
564     -26.59  2.94
565     -26.60  2.58
566     -26.60  2.37
567     -26.62  3.46
568     -26.63  2.62
569     -26.63  2.48
570     -26.64  2.92
571     -26.70  2.93
572     -26.73  3.15
573     -26.73  2.36
574     -26.73  2.99
575     -26.74  3.15
576     -26.76  3.65
577     -26.76  3.02
578     -26.78  2.73
579     -26.78  2.36
580     -26.79  3.38
581     -26.81  2.93
582     -26.83  2.93
583     -26.83  2.92
584     -26.85  3.14
585     -26.86  3.14
586     -26.87  2.56
587     -26.88  2.35
588     -26.91  2.51
589     -26.92  2.35
590     -26.93  3.20
591     -26.98  3.45
592     -26.99  3.00
593     -27.01  2.77
594     -27.06  2.76
595     -27.06  2.89
596     -27.07  2.55
597     -27.09  2.58
598     -27.09  2.96
599     -27.12  2.96
600     -27.12  2.88
601     -27.13  2.50
602     -27.15  2.58
603     -27.18  3.00
604     -27.20  3.42
605     -27.21  2.54
606     -27.26  2.75
607     -27.26  3.39
608     -27.33  2.57
609     -27.34  3.41
610     -27.35  2.98
611     -27.37  2.88
612     -27.38  3.03
613     -27.38  3.09
614     -27.38  2.68
615     -27.39  2.48
616     -27.40  2.97
617     -27.43  2.87
618     -27.43  2.93
619     -27.44  2.98
620     -27.44  2.97
621     -27.44  2.52
622     -27.45  2.86
623     -27.46  2.67
624     -27.46  2.67
625     -27.46  3.08
626     -27.48  3.42
627     -27.48  2.55
628     -27.54  3.59
629     -27.54  3.74
630     -27.57  2.55
631     -27.59  2.97
632     -27.61  2.92
633     -27.62  2.85
634     -27.62  2.66
635     -27.64  2.72
636     -27.64  2.54
637     -27.64  2.98
638     -27.65  2.54
639     -27.68  3.40
640     -27.68  3.00
641     -27.69  3.00
642     -27.75  2.86
643     -27.75  2.95
644     -27.78  3.37
645     -27.79  2.49
646     -27.80  2.39
647     -27.82  3.57
648     -27.83  3.06
649     -27.85  2.94
650     -27.86  2.97
651     -27.86  2.53
652     -27.89  2.83
653     -27.90  2.49
654     -27.91  2.39
655     -27.93  2.39
656     -27.93  2.85
657     -27.94  2.64
658     -27.94  3.06
659     -27.95  3.06
660     -27.95  2.64
661     -27.96  2.63
662     -27.96  2.38
663     -27.99  2.93
664     -27.99  2.43
665     -28.01  2.38
666     -28.02  2.96
667     -28.02  3.04
668     -28.02  2.43
669     -28.03  2.43
670     -28.04  2.43
671     -28.05  2.81
672     -28.08  2.63
673     -28.12  3.11
674     -28.13  2.97
675     -28.13  2.92
676     -28.17  3.30
677     -28.17  3.10
678     -28.18  3.03
679     -28.19  2.46
680     -28.20  3.32
681     -28.20  2.62
682     -28.20  2.92
683     -28.21  2.62
684     -28.25  3.54
685     -28.28  3.31
686     -28.29  2.67
687     -28.29  2.87
688     -28.32  2.79
689     -28.33  2.93
690     -28.35  3.53
691     -28.37  3.31
692     -28.38  2.67
693     -28.40  2.79
694     -28.41  3.53
695     -28.42  2.81
696     -28.43  2.80
697     -28.44  3.32
698     -28.46  2.90
699     -28.47  2.90
700     -28.47  2.94
701     -28.50  2.78
702     -28.50  3.02
703     -28.53  2.78
704     -28.53  2.78
705     -28.54  2.65
706     -28.54  2.34
707     -28.57  3.52
708     -28.58  2.34
709     -28.60  3.01
710     -28.62  3.01
711     -28.62  2.58
712     -28.63  2.89
713     -28.71  2.88
714     -28.75  2.99
715     -28.76  3.00
716     -28.78  3.26
717     -28.80  2.63
718     -28.81  2.99
719     -28.83  2.57
720     -28.83  2.92
721     -28.92  2.76
722     -28.98  2.86
723     -28.98  3.49
724     -28.99  2.62
725     -29.00  2.85
726     -29.00  2.62
727     -29.02  2.74
728     -29.04  2.77
729     -29.05  2.75
730     -29.05  2.55
731     -29.07  2.96
732     -29.08  2.81
733     -29.09  2.89
734     -29.12  2.76
735     -29.17  2.85
736     -29.18  3.25
737     -29.22  2.89
738     -29.22  2.84
739     -29.27  2.96
740     -29.34  3.26
741     -29.35  2.59
742     -29.36  3.87
743     -29.36  2.74
744     -29.37  2.88
745     -29.40  2.74
746     -29.42  2.82
747     -29.42  2.71
748     -29.42  2.52
749     -29.45  2.74
750     -29.47  2.82
751     -29.47  3.25
752     -29.47  2.93
753     -29.47  3.45
754     -29.48  3.26
755     -29.49  2.93
756     -29.49  2.87
757     -29.50  3.00
758     -29.51  2.73
759     -29.52  2.58
760     -29.56  2.78
761     -29.57  2.82
762     -29.57  2.81
763     -29.58  2.93
764     -29.58  3.44
765     -29.60  2.81
766     -29.62  2.81
767     -29.65  2.50
768     -29.66  2.86
769     -29.67  2.85
770     -29.67  2.69
771     -29.69  2.85
772     -29.69  2.77
773     -29.69  2.69
774     -29.71  3.25
775     -29.72  2.92
776     -29.76  2.80
777     -29.77  2.84
778     -29.77  2.56
779     -29.78  2.92
780     -29.80  2.91
781     -29.81  2.68
782     -29.83  2.80
783     -29.83  2.68
784     -29.83  3.20
785     -29.84  2.98
786     -29.85  2.56
787     -29.85  2.69
788     -29.88  2.79
789     -29.90  2.49
790     -29.91  2.91
791     -29.91  2.69
792     -29.92  2.55
793     -29.94  2.67
794     -29.96  3.42
795     -29.97  2.75
796     -29.98  2.83
797     -29.99  2.78
798     -30.00  2.83
799     -30.00  2.74
800     -30.02  2.90
801     -30.03  2.48
802     -30.03  2.47
803     -30.04  2.69
804     -30.05  2.78
805     -30.05  3.20
806     -30.13  3.13
807     -30.19  3.17
808     -30.20  2.79
809     -30.23  2.81
810     -30.24  2.65
811     -30.29  2.76
812     -30.30  2.78
813     -30.30  2.66
814     -30.33  2.52
815     -30.33  2.52
816     -30.33  3.18
817     -30.33  2.45
818     -30.35  2.45
819     -30.35  2.64
820     -30.35  2.65
821     -30.37  2.75
822     -30.40  2.75
823     -30.40  3.14
824     -30.42  2.71
825     -30.46  2.79
826     -30.47  2.86
827     -30.47  2.86
828     -30.48  2.65
829     -30.48  2.79
830     -30.49  2.93
831     -30.51  2.44
832     -30.51  3.10
833     -30.52  2.93
834     -30.53  3.15
835     -30.53  2.51
836     -30.57  2.74
837     -30.60  3.09
838     -30.63  2.92
839     -30.65  2.73
840     -30.66  2.73
841     -30.66  2.63
842     -30.66  2.43
843     -30.67  2.63
844     -30.67  2.73
845     -30.71  2.49
846     -30.71  2.91
847     -30.71  3.16
848     -30.72  2.75
849     -30.72  2.61
850     -30.73  2.69
851     -30.77  2.85
852     -30.80  2.42
853     -30.81  2.48
854     -30.82  2.61
855     -30.83  2.41
856     -30.85  2.84
857     -30.89  2.76
858     -30.92  3.76
859     -30.92  2.74
860     -30.93  2.74
861     -30.93  2.41
862     -30.94  2.76
863     -30.95  2.61
864     -30.96  2.71
865     -30.96  3.11
866     -31.01  2.70
867     -31.02  2.83
868     -31.05  2.47
869     -31.06  2.82
870     -31.07  2.60
871     -31.07  3.14
872     -31.09  2.70
873     -31.09  2.70
874     -31.10  2.75
875     -31.13  2.60
876     -31.15  2.70
877     -31.18  2.74
878     -31.18  3.33
879     -31.20  2.81
880     -31.22  2.74
881     -31.22  2.72
882     -31.25  3.05
883     -31.26  2.65
884     -31.27  2.65
885     -31.27  2.69
886     -31.28  3.07
887     -31.28  2.69
888     -31.29  2.45
889     -31.29  2.68
890     -31.29  2.71
891     -31.36  2.57
892     -31.40  2.68
893     -31.43  2.44
894     -31.43  2.80
895     -31.45  2.68
896     -31.45  2.57
897     -31.45  2.72
898     -31.47  2.67
899     -31.47  2.44
900     -31.48  2.67
901     -31.49  2.67
902     -31.50  2.63
903     -31.50  2.58
904     -31.51  2.66
905     -31.51  2.71
906     -31.52  2.78
907     -31.52  2.85
908     -31.53  2.66
909     -31.55  2.79
910     -31.57  2.79
911     -31.58  3.30
912     -31.58  2.58
913     -31.60  3.82
914     -31.61  2.66
915     -31.62  2.56
916     -31.63  2.68
917     -31.64  2.68
918     -31.67  2.57
919     -31.68  2.66
920     -31.73  2.65
921     -31.75  2.77
922     -31.75  2.42
923     -31.75  3.28
924     -31.75  2.77
925     -31.76  2.76
926     -31.76  2.65
927     -31.77  2.70
928     -31.80  2.67
929     -31.83  2.76
930     -31.83  3.00
931     -31.85  2.64
932     -31.86  2.76
933     -31.86  2.54
934     -31.87  3.05
935     -31.88  2.64
936     -31.89  2.69
937     -31.90  2.76
938     -31.91  3.02
939     -31.91  3.02
940     -31.94  2.55
941     -31.96  2.55
942     -31.99  2.74
943     -31.99  2.52
944     -32.01  2.68
945     -32.01  2.68
946     -32.03  2.54
947     -32.03  2.74
948     -32.04  3.76
949     -32.04  3.01
950     -32.06  2.63
951     -32.08  2.81
952     -32.12  2.52
953     -32.13  2.98
954     -32.14  2.62
955     -32.15  2.39
956     -32.15  2.65
957     -32.18  3.06
958     -32.18  2.74
959     -32.20  2.74
960     -32.22  2.74
961     -32.22  2.66
962     -32.23  2.66
963     -32.23  2.53
964     -32.24  2.66
965     -32.25  2.66
966     -32.28  2.51
967     -32.29  3.24
968     -32.29  2.61
969     -32.29  2.61
970     -32.31  2.61
971     -32.34  2.51
972     -32.36  2.73
973     -32.36  2.73
974     -32.36  3.01
975     -32.38  2.57
976     -32.42  2.96
977     -32.45  2.56
978     -32.45  2.62
979     -32.46  2.98
980     -32.46  2.59
981     -32.53  2.98
982     -32.53  2.60
983     -32.57  2.98
984     -32.58  2.55
985     -32.61  2.61
986     -32.62  2.47
987     -32.63  3.22
988     -32.63  3.03
989     -32.65  2.70
990     -32.66  2.55
991     -32.68  2.49
992     -32.68  2.69
993     -32.69  2.69
994     -32.70  2.60
995     -32.70  2.48
996     -32.71  2.70
997     -32.71  2.77
998     -32.72  2.47
999     -32.74  2.70
1000     -32.74  2.70
1001     -32.77  2.76
1002     -32.85  2.75
1003     -32.87  2.57
1004     -32.89  2.59
1005     -32.89  2.69
1006     -32.90  2.56
1007     -32.90  2.53
1008     -32.94  2.61
1009     -32.95  2.61
1010     -32.96  2.99
1011     -32.97  2.61
1012     -32.99  2.67
1013     -32.99  2.67
1014     -33.00  2.92
1015     -33.01  2.68
1016     -33.01  2.56
1017     -33.02  2.68
1018     -33.03  2.68
1019     -33.04  2.56
1020     -33.04  2.98
1021     -33.05  2.60
1022     -33.11  3.18
1023     -33.13  2.55
1024     -33.16  2.59
1025     -33.16  2.54
1026     -33.16  2.67
1027     -33.17  2.59
1028     -33.17  2.46
1029     -33.17  2.59
1030     -33.18  2.57
1031     -33.18  2.73
1032     -33.19  2.55
1033     -33.19  2.93
1034     -33.20  2.54
1035     -33.20  2.54
1036     -33.21  2.55
1037     -33.21  2.55
1038     -33.23  2.45
1039     -33.25  2.58
1040     -33.29  2.53
1041     -33.30  2.58
1042     -33.33  2.58
1043     -33.34  2.94
1044     -33.38  2.92
1045     -33.38  2.53
1046     -33.39  2.91
1047     -33.39  2.91
1048     -33.39  2.53
1049     -33.41  2.53
1050     -33.41  2.57
1051     -33.41  2.52
1052     -33.44  2.64
1053     -33.46  2.95
1054     -33.47  2.64
1055     -33.48  2.64
1056     -33.48  2.52
1057     -33.48  2.53
1058     -33.50  2.91
1059     -33.52  2.57
1060     -33.55  2.64
1061     -33.56  2.56
1062     -33.57  2.41
1063     -33.59  2.63
1064     -33.60  2.51
1065     -33.60  3.15
1066     -33.61  2.63
1067     -33.62  2.51
1068     -33.64  2.51
1069     -33.64  2.62
1070     -33.68  2.69
1071     -33.73  2.40
1072     -33.75  2.61
1073     -33.77  2.55
1074     -33.77  2.47
1075     -33.77  2.50
1076     -33.78  2.50
1077     -33.78  2.46
1078     -33.79  2.40
1079     -33.80  2.49
1080     -33.82  2.46
1081     -33.84  2.90
1082     -33.84  2.39
1083     -33.87  2.39
1084     -33.88  2.88
1085     -33.89  2.92
1086     -33.90  2.68
1087     -33.90  2.92
1088     -33.90  2.39
1089     -33.91  2.68
1090     -33.94  2.92
1091     -33.94  2.92
1092     -33.94  2.61
1093     -33.94  2.45
1094     -33.95  2.38
1095     -33.96  2.45
1096     -33.96  2.61
1097     -33.98  2.45
1098     -33.98  2.45
1099     -33.98  2.53
1100     -34.02  2.59
1101     -34.05  2.48
1102     -34.07  3.11
1103     -34.07  2.91
1104     -34.07  2.86
1105     -34.08  2.37
1106     -34.09  2.66
1107     -34.09  2.47
1108     -34.09  2.90
1109     -34.10  2.37
1110     -34.11  2.59
1111     -34.12  2.59
1112     -34.19  3.25
1113     -34.23  2.46
1114     -34.25  2.36
1115     -34.29  2.36
1116     -34.30  2.46
1117     -34.30  2.57
1118     -34.31  2.43
1119     -34.32  2.82
1120     -34.32  2.82
1121     -34.32  2.46
1122     -34.33  2.84
1123     -34.35  3.24
1124     -34.35  2.64
1125     -34.40  2.35
1126     -34.45  2.89
1127     -34.45  2.56
1128     -34.47  2.89
1129     -34.50  2.34
1130     -34.50  2.63
1131     -34.52  2.63
1132     -34.55  3.08
1133     -34.55  2.56
1134     -34.56  2.55
1135     -34.57  3.08
1136     -34.59  2.56
1137     -34.59  2.56
1138     -34.60  2.82
1139     -34.61  2.40
1140     -34.62  3.07
1141     -34.63  3.07
1142     -34.65  2.55
1143     -34.66  2.43
1144     -34.67  2.54
1145     -34.70  2.82
1146     -34.71  2.55
1147     -34.75  2.43
1148     -34.75  2.42
1149     -34.75  3.48
1150     -34.76  2.54
1151     -34.93  3.20
1152     -34.96  2.52
1153     -34.97  2.31
1154     -34.97  2.84
1155     -34.98  3.05
1156     -35.02  2.53
1157     -35.02  2.84
1158     -35.02  2.40
1159     -35.03  2.79
1160     -35.03  2.81
1161     -35.08  2.81
1162     -35.10  3.19
1163     -35.10  2.81
1164     -35.12  3.04
1165     -35.13  2.80
1166     -35.14  2.52
1167     -35.14  2.52
1168     -35.18  2.51
1169     -35.23  2.39
1170     -35.25  2.75
1171     -35.26  2.39
1172     -35.27  2.51
1173     -35.32  2.50
1174     -35.34  2.79
1175     -35.35  2.74
1176     -35.41  2.50
1177     -35.42  2.78
1178     -35.42  3.17
1179     -35.45  2.80
1180     -35.45  2.78
1181     -35.46  2.49
1182     -35.52  2.76
1183     -35.54  2.49
1184     -35.56  3.57
1185     -35.57  2.48
1186     -35.60  2.47
1187     -35.61  2.72
1188     -35.63  3.41
1189     -35.66  2.47
1190     -35.72  2.35
1191     -35.74  2.79
1192     -35.75  2.99
1193     -35.75  3.14
1194     -35.83  2.98
1195     -35.90  2.75
1196     -35.94  2.46
1197     -35.94  2.72
1198     -35.94  2.77
1199     -35.95  2.46
1200     -35.96  2.46
1201     -35.99  2.33
1202     -36.01  2.44
1203     -36.02  2.45
1204     -36.02  2.72
1205     -36.03  2.74
1206     -36.06  2.97
1207     -36.10  2.96
1208     -36.10  2.96
1209     -36.11  2.32
1210     -36.12  2.76
1211     -36.15  2.75
1212     -36.21  2.75
1213     -36.24  2.31
1214     -36.25  2.42
1215     -36.27  2.72
1216     -36.28  2.95
1217     -36.28  2.75
1218     -36.31  2.42
1219     -36.31  2.43
1220     -36.32  2.95
1221     -36.32  2.70
1222     -36.35  2.74
1223     -36.39  2.42
1224     -36.41  2.66
1225     -36.48  2.66
1226     -36.49  2.70
1227     -36.52  2.73
1228     -36.55  2.73
1229     -36.56  2.65
1230     -36.56  3.08
1231     -36.59  2.41
1232     -36.69  2.71
1233     -36.69  2.39
1234     -36.73  2.71
1235     -36.77  2.68
1236     -36.82  2.70
1237     -36.86  2.38
1238     -36.93  2.67
1239     -36.95  2.70
1240     -36.97  2.90
1241     -36.98  2.62
1242     -36.99  2.37
1243     -36.99  2.37
1244     -36.99  2.69
1245     -37.01  2.38
1246     -37.03  2.69
1247     -37.04  3.05
1248     -37.07  3.31
1249     -37.09  2.68
1250     -37.10  2.36
1251     -37.14  2.64
1252     -37.20  2.65
1253     -37.22  3.30
1254     -37.22  2.36
1255     -37.23  2.63
1256     -37.25  2.36
1257     -37.25  2.88
1258     -37.28  2.60
1259     -37.30  2.60
1260     -37.30  2.67
1261     -37.32  2.87
1262     -37.32  2.87
1263     -37.33  2.66
1264     -37.38  2.87
1265     -37.40  2.64
1266     -37.40  2.62
1267     -37.44  3.28
1268     -37.45  2.66
1269     -37.47  3.28
1270     -37.53  2.86
1271     -37.58  2.60
1272     -37.63  2.65
1273     -37.68  2.85
1274     -37.71  2.57
1275     -37.75  2.56
1276     -37.76  2.64
1277     -37.86  2.63
1278     -37.88  2.63
1279     -37.98  3.36
1280     -38.00  2.59
1281     -38.04  2.59
1282     -38.07  2.61
1283     -38.09  2.82
1284     -38.14  2.53
1285     -38.14  3.23
1286     -38.14  3.38
1287     -38.17  3.34
1288     -38.18  2.81
1289     -38.21  2.96
1290     -38.28  2.59
1291     -38.29  2.59
1292     -38.32  2.80
1293     -38.34  3.31
1294     -38.38  2.59
1295     -38.39  2.95
1296     -38.41  2.79
1297     -38.43  2.56
1298     -38.43  2.58
1299     -38.44  3.32
1300     -38.45  2.56
1301     -38.58  2.57
1302     -38.64  2.50
1303     -38.65  2.77
1304     -38.66  2.56
1305     -38.67  2.56
1306     -38.67  2.57
1307     -38.69  2.57
1308     -38.69  2.77
1309     -38.70  3.30
1310     -38.74  2.56
1311     -38.75  3.28
1312     -38.81  2.92
1313     -38.82  2.56
1314     -38.83  2.48
1315     -38.84  2.76
1316     -38.84  2.76
1317     -38.93  2.75
1318     -38.94  2.75
1319     -38.97  3.28
1320     -39.12  2.74
1321     -39.14  2.74
1322     -39.16  2.74
1323     -39.19  2.73
1324     -39.20  3.15
1325     -39.22  3.25
1326     -39.27  2.45
1327     -39.30  3.25
1328     -39.32  2.45
1329     -39.33  2.72
1330     -39.33  2.45
1331     -39.34  3.24
1332     -39.36  2.47
1333     -39.38  2.51
1334     -39.41  2.87
1335     -39.42  3.14
1336     -39.42  2.48
1337     -39.42  3.14
1338     -39.44  2.44
1339     -39.49  2.43
1340     -39.49  2.87
1341     -39.50  2.71
1342     -39.53  2.50
1343     -39.57  3.28
1344     -39.57  2.43
1345     -39.58  2.71
1346     -39.58  2.47
1347     -39.63  2.70
1348     -39.64  2.70
1349     -39.67  2.49
1350     -39.71  2.44
1351     -39.72  2.46
1352     -39.77  2.46
1353     -39.77  2.44
1354     -39.81  2.69
1355     -39.85  2.48
1356     -39.87  2.84
1357     -39.89  2.45
1358     -39.90  2.45
1359     -39.90  2.84
1360     -39.91  2.47
1361     -40.01  2.47
1362     -40.05  2.44
1363     -40.05  3.25
1364     -40.07  2.46
1365     -40.11  2.46
1366     -40.16  2.43
1367     -40.18  2.38
1368     -40.35  3.17
1369     -40.41  3.22
1370     -40.49  2.43
1371     -40.56  3.21
1372     -40.57  3.05
1373     -40.60  2.79
1374     -40.63  2.63
1375     -40.69  2.78
1376     -40.79  2.62
1377     -40.87  2.61
1378     -40.87  2.40
1379     -40.88  3.03
1380     -40.90  2.40
1381     -40.94  2.61
1382     -40.96  3.13
1383     -41.10  2.59
1384     -41.22  2.58
1385     -41.24  3.11
1386     -41.25  2.58
1387     -41.44  2.99
1388     -41.44  3.10
1389     -41.47  2.35
1390     -41.49  3.10
1391     -41.50  2.57
1392     -41.53  2.56
1393     -41.56  2.56
1394     -41.58  2.72
1395     -41.62  2.56
1396     -41.62  2.56
1397     -41.67  2.34
1398     -41.68  2.55
1399     -41.70  3.13
1400     -41.72  2.97
1401     -41.75  3.08
1402     -41.82  2.54
1403     -41.88  2.54
1404     -41.90  2.53
1405     -41.96  2.53
1406     -42.01  2.95
1407     -42.02  2.53
1408     -42.07  2.68
1409     -42.10  3.06
1410     -42.18  2.52
1411     -42.21  3.10
1412     -42.29  2.51
1413     -42.43  2.65
1414     -42.47  2.49
1415     -42.53  2.65
1416     -42.53  2.65
1417     -42.55  2.49
1418     -42.62  3.07
1419     -42.73  3.06
1420     -42.74  3.01
1421     -42.77  2.63
1422     -42.83  2.47
1423     -42.90  2.46
1424     -42.94  2.46
1425     -43.01  2.98
1426     -43.03  2.88
1427     -43.04  2.61
1428     -43.06  2.45
1429     -43.16  2.44
1430     -43.19  3.03
1431     -43.20  2.44
1432     -43.21  2.60
1433     -43.25  2.43
1434     -43.36  2.43
1435     -43.39  2.58
1436     -43.53  2.84
1437     -43.61  2.95
1438     -43.62  2.83
1439     -43.67  2.40
1440     -43.73  2.94
1441     -43.78  2.93
1442     -43.79  2.93
1443     -43.79  2.93
1444     -43.84  2.39
1445     -43.92  2.92
1446     -43.98  2.38
1447     -44.10  2.96
1448     -44.10  2.90
1449     -44.14  2.90
1450     -44.25  2.90
1451     -44.27  2.52
1452     -44.33  2.78
1453     -44.36  2.89
1454     -44.42  2.89
1455     -44.50  2.87
1456     -44.51  2.50
1457     -44.51  2.77
1458     -44.67  2.87
1459     -44.68  2.92
1460     -44.69  2.75
1461     -44.72  2.92
1462     -44.74  2.86
1463     -44.84  2.48
1464     -44.89  2.74
1465     -44.94  2.47
1466     -45.08  2.89
1467     -45.14  2.46
1468     -45.15  2.84
1469     -45.17  2.45
1470     -45.24  2.83
1471     -45.28  2.71
1472     -45.34  2.44
1473     -45.35  2.44
1474     -45.37  2.70
1475     -45.42  2.87
1476     -45.43  2.87
1477     -45.50  2.80
1478     -45.51  2.80
1479     -45.59  2.42
1480     -45.66  2.80
1481     -45.68  2.85
1482     -45.70  2.68
1483     -45.75  2.79
1484     -45.81  2.78
1485     -45.95  2.40
1486     -46.04  2.77
1487     -46.16  2.76
1488     -46.18  2.81
1489     -46.20  2.65
1490     -46.26  2.75
1491     -46.31  2.64
1492     -46.35  2.63
1493     -46.47  2.74
1494     -46.58  2.73
1495     -46.64  2.73
1496     -46.64  2.72
1497     -46.69  2.78
1498     -46.86  2.71
1499     -46.93  2.59
1500     -46.95  2.59
1501     -47.02  2.75
1502     -47.02  2.58
1503     -47.08  2.58
1504     -47.12  2.58
1505     -47.22  2.68
1506     -47.27  2.74
1507     -47.33  2.56
1508     -47.35  2.73
1509     -47.48  2.66
1510     -47.52  2.72
1511     -47.56  2.66
1512     -47.62  2.54
1513     -47.68  2.65
1514     -47.71  2.65
1515     -47.76  2.64
1516     -47.76  2.64
1517     -47.79  2.64
1518     -47.97  2.63
1519     -48.00  2.63
1520     -48.08  2.62
1521     -48.30  2.60
1522     -48.35  2.66
1523     -48.49  2.59
1524     -48.51  2.65
1525     -48.58  2.64
1526     -48.64  2.58
1527     -48.75  2.63
1528     -48.77  2.57
1529     -48.81  2.45
1530     -48.82  2.63
1531     -48.86  2.62
1532     -48.88  2.56
1533     -48.88  2.56
1534     -48.99  2.44
1535     -49.03  2.55
1536     -49.05  2.55
1537     -49.10  2.55
1538     -49.14  2.54
1539     -49.19  2.60
1540     -49.24  2.54
1541     -49.29  2.42
1542     -49.35  2.53
1543     -49.39  2.53
1544     -49.39  2.53
1545     -49.41  2.58
1546     -49.46  2.52
1547     -49.49  2.52
1548     -49.57  2.51
1549     -49.68  2.51
1550     -49.69  2.50
1551     -49.75  2.50
1552     -49.79  2.50
1553     -49.80  2.50
1554     -49.81  2.56
1555     -49.83  2.38
1556     -49.84  2.49
1557     -49.88  2.38
1558     -49.91  2.55
1559     -49.95  2.49
1560     -50.04  2.48
1561     -50.07  2.48
1562     -50.09  2.48
1563     -50.10  2.36
1564     -50.11  2.36
1565     -50.12  2.36
1566     -50.22  2.53
1567     -50.26  2.52
1568     -50.27  2.46
1569     -50.50  2.33
1570     -50.53  2.50
1571     -50.60  2.44
1572     -50.63  2.44
1573     -50.77  2.43
1574     -50.79  2.42
1575     -50.83  2.48
1576     -50.83  2.48
1577     -50.97  2.41
1578     -51.04  2.41
1579     -51.14  2.40
1580     -51.16  2.40
1581     -51.23  2.45
1582     -51.27  2.39
1583     -51.33  2.39
1584     -51.49  2.38
1585     -51.49  2.44
1586     -51.55  2.43
1587     -51.74  2.36
1588     -51.80  2.35
1589     -51.87  2.41
1590     -51.91  2.41
1591     -51.91  2.35
1592     -51.95  2.40
1593     -52.01  2.34
1594     -52.04  2.33
1595     -52.06  2.33
1596     -52.11  2.33
1597     -52.30  2.31
1598     -52.45  2.30
1599     -52.53  2.36
1600     -52.77  2.34
1601     -52.86  2.28
1602     -52.95  2.27
1603     -53.06  2.26
1604     -53.13  2.32
1605     -53.22  2.31
1606     -53.28  2.31
1607     -53.42  2.30
1608     -53.67  2.28
1609     -53.78  2.27
1610     -54.06  2.25
1611     -54.07  2.25
1612     -54.11  2.25
1613     -54.14  2.25
1614     -54.23  2.24
1615     -54.29  2.24
1616     -54.34  2.23
1617     -54.57  2.22
1618     -54.59  2.22
1619     -55.14  2.18
1620     -55.42  2.16
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 14 mins 0.23 secs (    840.23 secs)
Finished: Thu Apr 21 17:57:34 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION               2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   High Resolution Limit imposed by RF list =  3.94
   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   3.94  34.48 (3045)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (3045)
                               - half number of centrics (0/2)
                             = -3045
   With correction for SigF,
      Wilson log(likelihood) = -2338.84

----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Sampling:  0.99 Angstroms


-----------------------------
TRANSLATION FUNCTION #1 OF 32
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=178
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.24
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.905 107.193 139.219

   This TF set has 8 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     133.5   77.1   47.2      -0.2  ensemble1
   ----- angles below here for deep search only -----
   2      36.3   77.2   47.6      -2.1  ensemble1
   3     253.3   23.6  167.1      -4.8  ensemble1
   4     290.3  105.3  224.9       4.6  ensemble1
   5     328.3  161.4  331.4      -0.5  ensemble1
   6      28.1   94.7  230.3      -8.6  ensemble1
   7      30.4  107.1   23.3      -3.9  ensemble1
   8     272.9  107.2  139.2       0.4  ensemble1

      1 trial orientations in initial search
      7 trial orientations in deep search


   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #1 of 32
   0%    100%
   |=====| DONE

   Mean Score (Sigma):       -240.86   (50.75)

   SET #1 of 32 TRIAL #1 of 1
   --------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 53.54 (TFZ=4.8) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 167 sites over 67.5% of top
   167 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.959  0.372  0.998     53.538  4.84
   2      0.056  0.039  0.047     48.506  4.60
   3      0.061  0.047  0.049     47.255  4.53
   #Sites = 167: output truncated to 3 sites

   Top 167 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #1 of 1
   0%                                         100%
   |===========================================| DONE


   New Top (ML) Translation Function LLG = -120.12 (TFZ=2.4) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 82 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.230  0.451  0.927    -120.12  4.51   0.0      2     46.849/    46.849
   2      0.428  0.830  0.238    -121.68  4.23   9.2      2     40.988/    43.558
   3      0.056  0.039  0.047    -123.97  4.60  23.8      2     48.506/    48.506
   #SITES = 82: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #2 OF 32
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=171
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.779   51.373  171.421 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  3.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.088 108.404 140.556

   This TF set has 19 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -15.0  ensemble1
   ----- angles below here for deep search only -----
   2     290.3  105.3  224.9     -22.1  ensemble1
   3      45.4   76.5   44.2     -20.0  ensemble1
   4      28.3   86.6   48.0     -22.8  ensemble1
   5     133.5   77.1   47.2     -16.5  ensemble1
   6     195.1   76.2  204.7     -25.1  ensemble1
   7     227.8   52.7  171.5     -28.7  ensemble1
   8      30.4  107.1   23.3     -25.5  ensemble1
   9      29.3   81.5   58.8     -23.0  ensemble1
   10     17.5  104.9  227.2     -28.9  ensemble1
   11    328.3  161.4  331.4     -24.1  ensemble1
   12    253.3   23.6  167.1     -21.7  ensemble1
   13     28.1   94.7  230.3     -24.8  ensemble1
   14    208.3   86.6   48.0     -30.8  ensemble1
   15    209.5  116.4  247.8     -27.9  ensemble1
   16    308.5  103.6  231.9     -28.3  ensemble1
   17     57.8   51.4  171.4     -36.4  ensemble1
   18     66.1   44.4  159.2     -34.7  ensemble1
   19    273.1  108.4  140.6     -67.9  ensemble1

      1 trial orientations in initial search
      18 trial orientations in deep search


   Scoring 513 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #2 of 32
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       -233.43   (35.31)

   SET #2 of 32 TRIAL #1 of 1
   --------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 53.54 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -120.12 (TFZ=2.4)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 217 sites over 67.5% of top
   217 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.154  0.219  0.156     52.453  4.75
   2      0.931  0.707  0.985     48.801  4.58
   3      0.596  0.405  0.089     48.337  4.56
   #Sites = 217: output truncated to 3 sites

   Top 217 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 32 TRIAL #1 of 1
   0%                                                      100%
   |=======================================================| DONE


   New Top (ML) Translation Function LLG = -117.73 (TFZ=3.3) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 84 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.154  0.219  0.156    -117.73  4.75   0.0      1     52.453/    52.453
   2      0.931  0.707  0.985    -119.72  4.58  17.2      2     48.801/    48.801
   3      0.941  0.218  0.985    -125.23  4.32  20.3      2     43.555/    43.555
   #SITES = 84: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #3 OF 32
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  3.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  3.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 271.131 104.058 136.899

   This TF set has 15 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -11.4  ensemble1
   2     133.5   77.1   47.2     -20.6  ensemble1
   ----- angles below here for deep search only -----
   3     290.3  105.3  224.9     -17.1  ensemble1
   4      28.3   86.6   48.0     -19.7  ensemble1
   5      36.3   77.2   47.6     -20.0  ensemble1
   6     328.3  161.4  331.4     -23.9  ensemble1
   7      28.1   94.7  230.3     -24.4  ensemble1
   8     253.3   23.6  167.1     -24.2  ensemble1
   9      18.8  106.0  218.5     -23.9  ensemble1
   10    176.1  131.4  342.1     -29.7  ensemble1
   11    228.6   51.0  182.9     -27.6  ensemble1
   12     30.4  107.1   23.3     -22.2  ensemble1
   13    209.5  116.4  247.8     -25.4  ensemble1
   14    153.3   77.5   48.8     -31.3  ensemble1
   15    271.1  104.1  136.9     -67.0  ensemble1

      2 trial orientations in initial search
      13 trial orientations in deep search


   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #3 of 32
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       -233.26   (39.03)

   SET #3 of 32 TRIAL #1 of 2
   --------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 53.54 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -117.73 (TFZ=3.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 163 sites over 67.5% of top
   163 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.090  0.285  0.718     51.700  4.85
   2      0.959  0.859  0.289     48.834  4.70
   3      0.873  0.200  0.085     46.708  4.60
   #Sites = 163: output truncated to 3 sites

   Top 163 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 32 TRIAL #1 of 2
   0%                                        100%
   |==========================================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 88 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.959  0.859  0.289    -124.06  4.70   0.0      1     48.834/    48.834
   2      0.001  0.132  0.913    -125.10  4.15  10.1      2     37.597/    37.597
   3      0.064  0.375  0.132    -125.91  4.08  25.0      2     36.330/    36.330
   #SITES = 88: OUTPUT TRUNCATED TO 3 SITES

   SET #3 of 32 TRIAL #2 of 2
   --------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 54.92 (TFZ=5.0) at Trial #2


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 115 sites over 67.5% of top
   115 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.818  0.738  0.577     54.921  4.97
   2      0.520  0.263  0.179     48.103  4.63
   3      0.088  0.904  0.053     47.683  4.61
   #Sites = 115: output truncated to 3 sites

   Top 115 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 32 TRIAL #2 of 2
   0%                                                         100%
   |===========================================================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 62 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.818  0.738  0.577    -120.82  4.97   0.0      3     54.921/    54.921
   2      0.224  0.066  0.916    -125.17  4.42  22.0      1     43.782/    43.782
   3      0.229  0.569  0.913    -125.93  4.06  20.8      2     36.247/    37.661
   #SITES = 62: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #4 OF 32
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=169
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  4.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  259.962   63.416  163.199 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.612   64.043  173.810 RFZ  3.09
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 270.745 105.945 136.611

   This TF set has 15 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -15.8  ensemble1
   2      36.3   77.2   47.6     -19.5  ensemble1
   ----- angles below here for deep search only -----
   3     133.5   77.1   47.2     -16.6  ensemble1
   4      28.3   86.6   48.0     -18.6  ensemble1
   5     290.3  105.3  224.9     -18.5  ensemble1
   6     328.3  161.4  331.4     -20.8  ensemble1
   7      18.8  106.0  218.5     -23.5  ensemble1
   8      75.8   40.8  208.5     -25.1  ensemble1
   9      30.4  107.1   23.3     -25.6  ensemble1
   10    306.5  100.2  239.8     -30.0  ensemble1
   11    209.5  116.4  247.8     -26.8  ensemble1
   12    253.3   23.6  167.1     -23.5  ensemble1
   13    260.0   63.4  163.2     -27.9  ensemble1
   14    260.6   64.0  173.8     -27.8  ensemble1
   15    270.7  105.9  136.6     -72.5  ensemble1

      2 trial orientations in initial search
      13 trial orientations in deep search


   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #4 of 32
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       -232.25   (39.15)

   SET #4 of 32 TRIAL #1 of 2
   --------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 54.92 (TFZ=5.0)
   Current Top (ML) Translation Function LLG = -117.73 (TFZ=3.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 201 sites over 67.5% of top
   201 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.225  0.556  0.984     52.823  4.84
   2      0.663  0.857  0.045     51.567  4.78
   3      0.349  0.035  0.122     50.586  4.73
   #Sites = 201: output truncated to 3 sites

   Top 201 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #4 of 32 TRIAL #1 of 2
   0%                                                  100%
   |===================================================| DONE


   New Top (ML) Translation Function LLG = -113.06 (TFZ=3.0) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 71 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.080  0.487  0.040    -113.06  4.59   0.0      1     47.804/    47.804
   2      0.225  0.556  0.984    -114.57  4.84   9.0      1     52.823/    52.823
   3      0.168  0.953  0.675    -116.61  4.45  15.4      1     44.804/    44.804
   #SITES = 71: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 32 TRIAL #2 of 2
   --------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 62.25 (TFZ=5.4) at Trial #2


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 87 sites over 67.5% of top
   87 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.188  0.898  0.954     62.251  5.43
   2      0.185  0.894  0.953     55.698  5.11
   3      0.186  0.398  0.953     50.123  4.84
   #Sites = 87: output truncated to 3 sites

   Top 87 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #4 of 32 TRIAL #2 of 2
   0%                                           100%
   |=============================================| DONE


   New Top (ML) Translation Function LLG = -106.43 (TFZ=3.2) at Trial #2

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 31 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.185  0.894  0.953    -106.43  5.11   0.0      2     55.698/    62.251
   2      0.968  0.595  0.821    -116.22  4.05  20.0      3     33.924/    41.258
   3      0.186  0.398  0.953    -120.79  4.84  29.1      1     50.123/    50.123
   #SITES = 31: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #5 OF 32
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.009  111.559  127.378 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.535   65.227   66.623 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.728   16.479  182.851 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  112.690  135.260  354.675 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.104   65.911  153.721 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.601  105.060  226.246 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.246  127.938  353.879 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.894   14.807  147.514 RFZ  2.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087

   This TF set has 41 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -11.6  ensemble1
   2      28.3   86.6   48.0     -17.5  ensemble1
   3      36.3   77.2   47.6     -13.9  ensemble1
   4     133.5   77.1   47.2     -16.9  ensemble1
   5     290.3  105.3  224.9     -19.9  ensemble1
   6     209.5  116.4  247.8     -25.2  ensemble1
   7      18.8  106.0  218.5     -20.8  ensemble1
   8      30.4  107.1   23.3     -24.3  ensemble1
   9     328.3  161.4  331.4     -20.3  ensemble1
   10     28.1   94.7  230.3     -28.8  ensemble1
   ----- angles below here for deep search only -----
   11    208.5   58.5   73.5     -27.4  ensemble1
   12    253.3   23.6  167.1     -25.4  ensemble1
   13    228.6   51.0  182.9     -28.1  ensemble1
   14    308.5  103.6  231.9     -26.8  ensemble1
   15    106.0  105.8  220.9     -29.7  ensemble1
   16     15.5  144.7   20.9     -29.6  ensemble1
   17    211.2  153.0  348.3     -32.2  ensemble1
   18     66.1   44.4  159.2     -31.7  ensemble1
   19    292.1   79.3  216.8     -30.0  ensemble1
   20    108.0  111.6  127.4     -32.1  ensemble1
   21    149.0  107.0   23.5     -29.5  ensemble1
   22    156.3  136.1    8.5     -29.2  ensemble1
   23     91.0   33.1  200.8     -30.5  ensemble1
   24     83.1   19.1  174.7     -31.2  ensemble1
   25    134.3   49.2  171.4     -29.4  ensemble1
   26    281.7  106.0  216.9     -34.0  ensemble1
   27     29.5   65.2   66.6     -33.2  ensemble1
   28    158.3  157.5  329.2     -30.0  ensemble1
   29      8.7   16.5  182.9     -34.7  ensemble1
   30    153.3   77.5   48.8     -29.7  ensemble1
   31    308.2   76.6   44.7     -31.9  ensemble1
   32    112.7  135.3  354.7     -35.7  ensemble1
   33     29.0   76.2  204.7     -36.4  ensemble1
   34     40.6   45.6  171.8     -33.3  ensemble1
   35     37.2  105.2  225.8     -35.2  ensemble1
   36    260.1   65.9  153.7     -30.7  ensemble1
   37    270.6  105.1  226.2     -39.1  ensemble1
   38    294.2   95.7  227.0     -30.0  ensemble1
   39     29.2  127.9  353.9     -33.3  ensemble1
   40    104.9   14.8  147.5     -33.5  ensemble1
   41    272.3  106.4  139.1     -71.1  ensemble1

      10 trial orientations in initial search
      31 trial orientations in deep search


   Scoring 533 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #5 of 32
   0%                    100%
   |======================| DONE

   Mean Score (Sigma):       -213.04   (30.16)

   SET #5 of 32 TRIAL #1 of 10
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 62.70 (TFZ=4.5) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 328 sites over 67.5% of top
   328 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.485  0.214  0.044     62.702  4.50
   2      0.220  0.304  1.000     58.064  4.26
   3      0.277  0.001  0.898     57.303  4.23
   #Sites = 328: output truncated to 3 sites

   Top 328 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #1 of 10
   0%                                                      100%
   |=======================================================| DONE


   New Top (ML) Translation Function LLG = -94.59 (TFZ=3.9) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 68 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.485  0.214  0.044    -94.592  4.50   0.0      1     62.702/    62.702
   2      0.220  0.304  1.000   -106.166  4.26  19.2      3     58.064/    58.064
   3      0.484  0.714  0.045   -109.774  3.62  29.3      1     45.247/    45.247
   #SITES = 68: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #2 of 10
   ---------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 81.29 (TFZ=5.6) at Trial #2


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 47 sites over 67.5% of top
   47 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.674  0.735  0.005     81.290  5.56
   2      0.673  0.234  0.002     71.079  5.04
   3      0.944  0.170  0.003     64.880  4.73
   #Sites = 47: output truncated to 3 sites

   Top 47 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #2 of 10
   0%                       100%
   |=========================| DONE


   New Top (ML) Translation Function LLG = -91.56 (TFZ=4.0) at Trial #2

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 31 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.674  0.735  0.005    -91.560  5.56   0.0      1     81.290/    81.290
   2      0.009  0.116  0.012   -100.400  4.68  21.1      3     63.773/    63.773
   3      0.307  0.581  0.216   -101.984  4.51  25.1      2     60.442/    60.442
   #SITES = 31: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #3 of 10
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.29 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -91.56 (TFZ=4.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 49 sites over 67.5% of top
   49 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.537  0.537  0.261     64.036  4.85
   2      0.474  0.094  0.205     63.528  4.83
   3      0.664  0.947  0.046     58.268  4.56
   #Sites = 49: output truncated to 3 sites

   Top 49 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #3 of 10
   0%                        100%
   |==========================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.537  0.537  0.261    -101.58  4.85   0.0      1     64.036/    64.036
   2      0.474  0.094  0.205    -103.48  4.83  24.9      3     63.528/    63.528
   3      0.344  0.302  1.000    -106.26  4.52  27.0      2     57.433/    57.433
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #4 of 10
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 81.57 (TFZ=5.6) at Trial #4


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 45 sites over 67.5% of top
   45 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.625  0.284  0.109     81.569  5.62
   2      0.985  0.094  0.078     74.130  5.24
   3      0.983  0.094  0.079     73.694  5.22
   #Sites = 45: output truncated to 3 sites

   Top 45 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #4 of 10
   0%                      100%
   |========================| DONE


   New Top (ML) Translation Function LLG = -89.75 (TFZ=4.1) at Trial #4

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.983  0.094  0.079    -89.752  5.22   0.0      2     73.694/    74.130
   2      0.982  0.596  0.079    -95.422  4.79  29.2      1     65.317/    65.317
   3      0.625  0.284  0.109   -100.208  5.62  28.4      1     81.569/    81.569
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #5 of 10
   ---------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -89.75 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.266  0.626  0.702     64.936  4.71
   2      0.259  0.619  0.704     62.954  4.61
   3      0.574  0.706  0.987     61.574  4.54
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #5 of 10
   0%                          100%
   |===========================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 33 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.259  0.619  0.704    -101.08  4.61   0.0      2     62.954/    64.936
   2      0.077  0.089  0.978    -103.47  4.37  28.6      2     58.280/    58.280
   3      0.665  0.961  0.175    -106.37  4.15  22.0      2     53.971/    53.971
   #SITES = 33: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #6 of 10
   ---------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -89.75 (TFZ=4.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 41 sites over 67.5% of top
   41 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.743  0.211  0.063     74.176  5.35
   2      0.744  0.712  0.058     70.830  5.17
   3      0.722  0.983  0.024     68.205  5.04
   #Sites = 41: output truncated to 3 sites

   Top 41 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #6 of 10
   0%                    100%
   |======================| DONE


   New Top (ML) Translation Function LLG = -84.60 (TFZ=4.3) at Trial #6

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.743  0.211  0.063    -84.601  5.35   0.0      1     74.176/    74.176
   2      0.744  0.712  0.058    -87.730  5.17  29.3      1     70.830/    70.830
   3      0.722  0.983  0.024    -97.116  5.04  13.3      1     68.205/    68.205
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #7 of 10
   ---------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -84.60 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 52 sites over 67.5% of top
   52 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.650  0.975  0.918     75.416  5.56
   2      0.421  0.407  0.969     71.456  5.36
   3      0.651  0.462  0.915     64.791  5.03
   #Sites = 52: output truncated to 3 sites

   Top 52 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #7 of 10
   0%                          100%
   |===========================| DONE


   New Top (ML) Translation Function LLG = -81.92 (TFZ=4.3) at Trial #7

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.421  0.407  0.969    -81.923  5.36   0.0      1     71.456/    71.456
   2      0.650  0.975  0.918    -92.053  5.56  29.4      1     75.416/    75.416
   3      0.651  0.462  0.915   -102.027  5.03  13.2      1     64.791/    64.791
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #8 of 10
   ---------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 39 sites over 67.5% of top
   39 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.160  0.392  0.094     61.991  4.82
   2      0.162  0.393  0.094     60.383  4.74
   3      0.333  0.126  0.898     59.707  4.71
   #Sites = 39: output truncated to 3 sites

   Top 39 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #8 of 10
   0%                   100%
   |=====================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 26 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.162  0.393  0.094    -105.52  4.74   0.0      2     60.383/    61.991
   2      0.056  0.246  0.179    -111.16  4.34  11.1      2     52.379/    53.586
   3      0.927  0.410  0.049    -113.03  4.43  14.9      1     54.219/    54.219
   #SITES = 26: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #9 of 10
   ---------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 38 sites over 67.5% of top
   38 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.695  0.585  0.076     78.317  5.40
   2      0.026  0.271  1.000     65.361  4.73
   3      0.696  0.083  0.074     59.552  4.42
   #Sites = 38: output truncated to 3 sites

   Top 38 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #9 of 10
   0%                   100%
   |====================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 21 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.695  0.585  0.076    -92.442  5.40   0.0      1     78.317/    78.317
   2      0.116  0.216  0.018   -108.725  4.23  30.2      2     55.880/    56.693
   3      0.354  0.351  0.382   -111.120  4.07  16.4      2     52.797/    52.797
   #SITES = 21: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 32 TRIAL #10 of 10
   ----------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 39 sites over 67.5% of top
   39 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.447  0.861  0.030     67.491  5.18
   2      0.455  0.868  0.029     65.747  5.09
   3      0.456  0.371  0.033     65.538  5.08
   #Sites = 39: output truncated to 3 sites

   Top 39 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #10 of 10
   0%                   100%
   |=====================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 24 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.447  0.861  0.030    -98.389  5.18   0.0      2     67.491/    67.491
   2      0.456  0.371  0.033   -101.460  5.08  29.0      2     65.538/    65.538
   3      0.944  0.196  0.982   -102.565  4.72  26.1      2     58.270/    60.419
   #SITES = 24: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #6 OF 32
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.779   51.373  171.421 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.946  109.014  125.881 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.894   14.807  147.514 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.55
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.004 106.912 138.421

   This TF set has 38 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8       0.5  ensemble1
   2      36.3   77.2   47.6      -5.2  ensemble1
   3      28.3   86.6   48.0      -2.2  ensemble1
   4     133.5   77.1   47.2      -7.0  ensemble1
   5      75.8   40.8  208.5     -14.3  ensemble1
   6     351.3  157.9  355.2     -11.2  ensemble1
   7     290.3  105.3  224.9      -7.1  ensemble1
   8      30.4  107.1   23.3      -9.5  ensemble1
   9      17.5  104.9  227.2     -10.7  ensemble1
   ----- angles below here for deep search only -----
   10    227.8   52.7  171.5     -13.4  ensemble1
   11     15.5  144.7   20.9     -15.1  ensemble1
   12    308.5  103.6  231.9     -14.3  ensemble1
   13    134.3   49.2  171.4     -17.1  ensemble1
   14    156.3  136.1    8.5     -15.7  ensemble1
   15    253.3   23.6  167.1     -13.4  ensemble1
   16    208.5   58.5   73.5     -13.2  ensemble1
   17     28.1   94.7  230.3     -10.2  ensemble1
   18     83.1   19.1  174.7     -16.5  ensemble1
   19     91.0   33.1  200.8     -16.5  ensemble1
   20    209.5  116.4  247.8      -9.4  ensemble1
   21    106.0  105.8  220.9     -15.0  ensemble1
   22     66.1   44.4  159.2     -15.2  ensemble1
   23     57.8   51.4  171.4     -15.8  ensemble1
   24    292.1   79.3  216.8     -15.4  ensemble1
   25    308.2   76.6   44.7     -19.3  ensemble1
   26    110.9  109.0  125.9     -19.1  ensemble1
   27    158.3  157.5  329.2     -17.4  ensemble1
   28    104.9   14.8  147.5     -21.4  ensemble1
   29    294.2   95.7  227.0     -20.8  ensemble1
   30    153.3   77.5   48.8     -19.1  ensemble1
   31    298.6  103.3  232.6     -21.6  ensemble1
   32    311.7   93.9  232.4     -24.1  ensemble1
   33     37.2  105.2  225.8     -19.7  ensemble1
   34    281.7  106.0  216.9     -17.1  ensemble1
   35    211.2  153.0  348.3     -15.2  ensemble1
   36    267.8   77.6  207.6     -22.2  ensemble1
   37     40.6   45.6  171.8     -19.7  ensemble1
   38    272.0  106.9  138.4     -60.3  ensemble1

      9 trial orientations in initial search
      29 trial orientations in deep search


   Scoring 532 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #6 of 32
   0%                   100%
   |====================| DONE

   Mean Score (Sigma):       -225.62   (31.00)

   SET #6 of 32 TRIAL #1 of 9
   --------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 56 sites over 67.5% of top
   56 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.367  0.871  0.002     62.856  4.86
   2      0.375  0.877  0.004     59.146  4.67
   3      0.999  0.622  0.914     58.960  4.67
   #Sites = 56: output truncated to 3 sites

   Top 56 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #1 of 9
   0%                            100%
   |=============================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 43 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.507  0.120  0.075    -108.89  4.08   0.0      1     46.930/    46.930
   2      0.367  0.871  0.002    -110.27  4.86  14.4      2     62.856/    62.856
   3      0.283  0.776  0.958    -111.75  4.48  20.8      1     55.092/    55.092
   #SITES = 43: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #2 of 9
   --------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 25 sites over 67.5% of top
   25 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.824  0.531  0.046     71.628  5.60
   2      0.825  0.530  0.046     68.368  5.44
   3      0.825  0.030  0.045     60.396  5.05
   #Sites = 25: output truncated to 3 sites

   Top 25 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #2 of 9
   0%            100%
   |==============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 19 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.824  0.531  0.046    -111.73  5.60   0.0      2     71.628/    71.628
   2      0.998  0.893  0.243    -119.71  4.73  26.1      1     53.838/    53.838
   3      0.688  0.388  0.978    -122.46  4.20  10.4      1     43.129/    43.129
   #SITES = 19: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #3 of 9
   --------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.57 (TFZ=5.6)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 21 sites over 67.5% of top
   21 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.826  0.316  0.004     58.186  4.92
   2      0.826  0.813  0.006     57.851  4.90
   3      0.773  0.231  0.048     55.363  4.78
   #Sites = 21: output truncated to 3 sites

   Top 21 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #3 of 9
   0%          100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 18 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.394  0.094  0.915    -112.77  4.42   0.0      1     48.075/    48.075
   2      0.826  0.813  0.006    -115.16  4.90  25.1      1     57.851/    57.851
   3      0.826  0.316  0.004    -116.92  4.92  23.5      1     58.186/    58.186
   #SITES = 18: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #4 of 9
   --------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 81.60 (TFZ=6.0) at Trial #4


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 29 sites over 67.5% of top
   29 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.753  0.222  0.032     81.600  5.96
   2      0.998  0.250  0.996     54.216  4.60
   3      0.272  0.491  0.971     52.828  4.53
   #Sites = 29: output truncated to 3 sites

   Top 29 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #4 of 9
   0%              100%
   |================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 21 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.753  0.222  0.032    -110.59  5.96   0.0      1     81.600/    81.600
   2      0.998  0.250  0.996    -113.38  4.60  14.0      2     54.216/    54.216
   3      0.272  0.491  0.971    -115.15  4.53  27.0      2     52.828/    52.828
   #SITES = 21: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #5 of 9
   --------------------------
   Ensemble ensemble1 Euler  75.80  40.80 208.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.541  0.829  0.937     61.348  5.00
   2      0.441  0.838  0.821     55.027  4.69
   3      0.273  0.323  0.941     50.889  4.49
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #5 of 9
   0%          100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.541  0.829  0.937    -104.35  5.00   0.0      1     61.348/    61.348
   2      0.441  0.838  0.821    -110.14  4.69  12.5      1     55.027/    55.027
   3      0.543  0.331  0.934    -122.52  4.17  29.2      1     44.272/    44.272
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #6 of 9
   --------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 35 sites over 67.5% of top
   35 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.463  0.848  0.924     70.499  5.42
   2      0.467  0.851  0.923     68.674  5.33
   3      0.819  0.203  0.968     63.446  5.07
   #Sites = 35: output truncated to 3 sites

   Top 35 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #6 of 9
   0%                 100%
   |===================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.467  0.851  0.923    -98.152  5.33   0.0      2     68.674/    70.499
   2      0.819  0.203  0.968   -107.528  5.07  21.0      1     63.446/    63.446
   3      0.304  0.748  0.495   -112.161  4.47  12.3      1     51.060/    51.060
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #7 of 9
   --------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 23 sites over 67.5% of top
   23 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.433  0.984  0.780     61.086  5.02
   2      0.488  0.853  0.960     56.619  4.79
   3      0.441  0.484  0.070     55.650  4.74
   #Sites = 23: output truncated to 3 sites

   Top 23 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #7 of 9
   0%           100%
   |=============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 18 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.088  0.698  0.187    -111.38  4.40   0.0      1     48.993/    48.993
   2      0.433  0.984  0.780    -113.01  5.02  27.7      2     61.086/    61.086
   3      0.441  0.484  0.070    -115.70  4.74  21.6      2     55.650/    55.650
   #SITES = 18: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #8 of 9
   --------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.290  0.735  0.114     53.442  4.82
   2      0.292  0.734  0.114     53.067  4.80
   3      0.511  0.682  0.002     48.150  4.55
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #8 of 9
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.296  0.741  0.114    -119.36  4.36   0.0      3     44.238/    53.442
   2      0.631  0.300  0.926    -124.81  4.30  33.6      1     43.021/    43.021
   3      0.326  0.174  0.046    -129.34  4.30  25.3      1     42.985/    42.985
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #6 of 32 TRIAL #9 of 9
   --------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.295  0.915  0.928     52.714  4.81
   2      0.433  0.108  0.963     46.165  4.49
   3      0.045  0.415  0.002     43.020  4.33
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #9 of 9
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.433  0.108  0.963    -125.00  4.49   0.0      1     46.165/    46.165
   2      0.295  0.915  0.928    -125.01  4.81  10.6      1     52.714/    52.714
   3      0.709  0.030  0.932    -126.93  4.22  19.1      1     40.773/    40.773
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #7 OF 32
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.668  106.547   24.069 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.946  109.014  125.881 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.735  132.528  354.146 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.839  102.045  253.282 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.50
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.028 108.310 140.369

   This TF set has 43 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8      -2.5  ensemble1
   2     195.1   76.2  204.7     -14.2  ensemble1
   3      36.3   77.2   47.6     -10.9  ensemble1
   4     133.5   77.1   47.2     -12.4  ensemble1
   5      28.3   86.6   48.0     -11.7  ensemble1
   6     290.3  105.3  224.9     -15.2  ensemble1
   7     227.8   52.7  171.5     -17.8  ensemble1
   8     351.3  157.9  355.2     -14.5  ensemble1
   ----- angles below here for deep search only -----
   9     253.3   23.6  167.1     -20.5  ensemble1
   10     30.4  107.1   23.3     -15.7  ensemble1
   11    308.5  103.6  231.9     -19.1  ensemble1
   12     17.5  104.9  227.2     -16.3  ensemble1
   13     28.1   94.7  230.3     -20.9  ensemble1
   14     66.1   44.4  159.2     -22.0  ensemble1
   15    144.7  106.5   24.1     -26.7  ensemble1
   16     15.5  144.7   20.9     -18.3  ensemble1
   17    209.5  116.4  247.8     -21.4  ensemble1
   18    228.6   51.0  182.9     -24.4  ensemble1
   19    158.3  157.5  329.2     -23.9  ensemble1
   20    106.0  105.8  220.9     -22.0  ensemble1
   21    134.3   49.2  171.4     -19.3  ensemble1
   22    156.3  136.1    8.5     -19.9  ensemble1
   23    292.1   79.3  216.8     -22.5  ensemble1
   24    208.5   58.5   73.5     -20.6  ensemble1
   25     91.0   33.1  200.8     -21.3  ensemble1
   26    308.2   76.6   44.7     -22.9  ensemble1
   27    110.9  109.0  125.9     -23.1  ensemble1
   28    294.2   95.7  227.0     -24.1  ensemble1
   29     40.6   45.6  171.8     -25.6  ensemble1
   30     29.0   76.2  204.7     -26.4  ensemble1
   31    153.3   77.5   48.8     -24.2  ensemble1
   32    267.8   77.6  207.6     -25.4  ensemble1
   33    103.7  132.5  354.1     -31.3  ensemble1
   34     83.1   19.1  174.7     -21.2  ensemble1
   35     37.2  105.2  225.8     -25.2  ensemble1
   36    211.2  153.0  348.3     -25.4  ensemble1
   37    298.6  103.3  232.6     -24.5  ensemble1
   38    279.9   18.6  145.3     -26.4  ensemble1
   39    201.8  102.0  253.3     -29.4  ensemble1
   40    281.7  106.0  216.9     -25.2  ensemble1
   41    311.7   93.9  232.4     -25.1  ensemble1
   42     27.3  105.0  226.5     -27.0  ensemble1
   43    273.0  108.3  140.4     -66.5  ensemble1

      8 trial orientations in initial search
      35 trial orientations in deep search


   Scoring 516 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #7 of 32
   0%                     100%
   |=======================| DONE

   Mean Score (Sigma):       -223.25   (28.55)

   SET #7 of 32 TRIAL #1 of 8
   --------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 29 sites over 67.5% of top
   29 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.837  0.797  0.910     57.304  4.66
   2      0.836  0.796  0.911     55.599  4.58
   3      0.050  0.171  0.987     54.038  4.50
   #Sites = 29: output truncated to 3 sites

   Top 29 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #1 of 8
   0%              100%
   |================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 23 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.837  0.797  0.910    -111.62  4.66   0.0      2     57.304/    57.304
   2      0.382  0.470  0.756    -114.03  4.18  27.7      1     47.600/    47.600
   3      0.622  0.517  0.204    -114.88  4.28  31.4      2     49.488/    51.513
   #SITES = 23: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 32 TRIAL #2 of 8
   --------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 34 sites over 67.5% of top
   34 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.199  0.315  0.048     77.220  5.73
   2      0.946  0.287  0.880     73.438  5.54
   3      0.192  0.816  0.050     60.363  4.91
   #Sites = 34: output truncated to 3 sites

   Top 34 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #2 of 8
   0%                 100%
   |==================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.946  0.287  0.880    -100.88  5.54   0.0      1     73.438/    73.438
   2      0.199  0.315  0.048    -100.97  5.73  21.2      1     77.220/    77.220
   3      0.853  0.412  0.908    -114.42  4.72  11.4      1     56.576/    56.576
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 32 TRIAL #3 of 8
   --------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.664  0.201  0.045     58.580  4.91
   2      0.665  0.203  0.045     55.886  4.78
   3      0.660  0.700  0.047     55.592  4.77
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #3 of 8
   0%             100%
   |==============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.776  0.196  0.820    -113.25  4.48   0.0      2     49.660/    51.011
   2      0.735  0.118  0.889    -113.51  4.70   7.6      2     54.102/    54.102
   3      0.660  0.700  0.047    -116.69  4.77  26.1      1     55.592/    55.592
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 32 TRIAL #4 of 8
   --------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 33 sites over 67.5% of top
   33 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.850  0.299  0.077     67.554  5.16
   2      0.615  0.035  0.109     67.330  5.15
   3      0.594  0.893  0.039     61.596  4.86
   #Sites = 33: output truncated to 3 sites

   Top 33 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #4 of 8
   0%                100%
   |==================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.564  0.731  0.966    -105.96  4.42   0.0      2     52.872/    52.872
   2      0.615  0.035  0.109    -106.77  5.15  21.3      1     67.330/    67.330
   3      0.850  0.299  0.077    -106.83  5.16  26.5      1     67.554/    67.554
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 32 TRIAL #5 of 8
   --------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 29 sites over 67.5% of top
   29 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.664  0.481  0.001     64.573  5.17
   2      0.778  0.119  0.951     55.570  4.72
   3      0.606  0.905  0.040     54.802  4.68
   #Sites = 29: output truncated to 3 sites

   Top 29 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #5 of 8
   0%              100%
   |================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 24 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.224  0.620  0.033    -113.80  4.33   0.0      1     47.730/    47.730
   2      0.686  0.082  0.221    -115.77  4.39  22.2      2     48.910/    48.910
   3      0.839  0.618  0.108    -116.17  4.45  23.6      1     50.082/    50.082
   #SITES = 24: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 32 TRIAL #6 of 8
   --------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.683  0.730  0.872     59.561  4.93
   2      0.255  0.394  0.320     56.086  4.75
   3      0.333  0.529  0.961     55.772  4.74
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #6 of 8
   0%       100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.683  0.730  0.872    -104.63  4.93   0.0      1     59.561/    59.561
   2      0.922  0.365  0.189    -111.13  4.57   9.2      1     52.460/    52.460
   3      0.255  0.394  0.320    -116.87  4.75  15.1      1     56.086/    56.086
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 32 TRIAL #7 of 8
   --------------------------
   Ensemble ensemble1 Euler 227.81  52.70 171.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 19 sites over 67.5% of top
   19 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.368  0.599  0.971     62.718  5.16
   2      0.348  0.180  0.140     61.926  5.12
   3      0.934  0.131  0.987     61.888  5.12
   #Sites = 19: output truncated to 3 sites

   Top 19 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #7 of 8
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.940  0.138  0.987    -105.94  4.86   0.0      2     56.757/    61.888
   2      0.940  0.637  0.986    -108.26  5.05  29.2      2     60.516/    60.919
   3      0.371  0.603  0.971    -117.13  5.09  26.4      2     61.411/    62.718
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #7 of 32 TRIAL #8 of 8
   --------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 30 sites over 67.5% of top
   30 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.655  0.367  0.972     72.015  5.50
   2      0.086  0.438  0.014     69.115  5.35
   3      0.656  0.866  0.972     68.012  5.30
   #Sites = 30: output truncated to 3 sites

   Top 30 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #8 of 8
   0%               100%
   |================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.655  0.367  0.972    -95.135  5.50   0.0      1     72.015/    72.015
   2      0.656  0.866  0.972    -99.867  5.30  29.2      1     68.012/    68.012
   3      0.443  0.837  0.866   -101.583  5.25  28.9      1     66.930/    66.930
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #8 OF 32
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  114.747  105.038  134.237 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.009  111.559  127.378 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.443  105.195  225.553 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.728   16.479  182.851 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.839   53.636   62.841 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.355  106.693  246.557 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.540 107.143 139.391

   This TF set has 38 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8      -6.8  ensemble1
   2      36.3   77.2   47.6     -10.1  ensemble1
   3     290.3  105.3  224.9     -15.4  ensemble1
   4     133.5   77.1   47.2     -10.3  ensemble1
   5      30.4  107.1   23.3     -16.9  ensemble1
   6     328.3  161.4  331.4     -17.6  ensemble1
   7      28.3   86.6   48.0     -10.9  ensemble1
   8     253.3   23.6  167.1     -16.9  ensemble1
   ----- angles below here for deep search only -----
   9     306.5  100.2  239.8     -21.6  ensemble1
   10    209.5  116.4  247.8     -20.8  ensemble1
   11     15.5  144.7   20.9     -20.2  ensemble1
   12     17.5  104.9  227.2     -18.7  ensemble1
   13    156.3  136.1    8.5     -22.0  ensemble1
   14     28.1   94.7  230.3     -19.4  ensemble1
   15    308.2   76.6   44.7     -23.4  ensemble1
   16     83.1   19.1  174.7     -25.3  ensemble1
   17    279.9   18.6  145.3     -25.9  ensemble1
   18    149.0  107.0   23.5     -25.0  ensemble1
   19    267.8   77.6  207.6     -25.2  ensemble1
   20     91.0   33.1  200.8     -23.1  ensemble1
   21     66.1   44.4  159.2     -19.9  ensemble1
   22    153.3   77.5   48.8     -25.0  ensemble1
   23    208.5   58.5   73.5     -22.5  ensemble1
   24    106.0  105.8  220.9     -21.7  ensemble1
   25    114.7  105.0  134.2     -27.4  ensemble1
   26    108.0  111.6  127.4     -23.7  ensemble1
   27     29.0   76.2  204.7     -24.5  ensemble1
   28    358.4  137.3  342.0     -27.0  ensemble1
   29    134.3   49.2  171.4     -21.8  ensemble1
   30     40.6   45.6  171.8     -23.8  ensemble1
   31    280.4  105.2  225.6     -28.1  ensemble1
   32      8.7   16.5  182.9     -28.3  ensemble1
   33    212.8   53.6   62.8     -32.2  ensemble1
   34    204.4  106.7  246.6     -29.6  ensemble1
   35    211.2  153.0  348.3     -25.8  ensemble1
   36    291.7  163.7  301.3     -31.2  ensemble1
   37    298.6  103.3  232.6     -25.8  ensemble1
   38    272.5  107.1  139.4     -64.2  ensemble1

      8 trial orientations in initial search
      30 trial orientations in deep search


   Scoring 532 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #8 of 32
   0%                   100%
   |====================| DONE

   Mean Score (Sigma):       -219.04   (30.46)

   SET #8 of 32 TRIAL #1 of 8
   --------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 55 sites over 67.5% of top
   55 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.931  0.888  0.080     65.029  4.88
   2      0.034  0.949  0.042     63.787  4.82
   3      0.211  0.971  0.157     62.639  4.76
   #Sites = 55: output truncated to 3 sites

   Top 55 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #1 of 8
   0%                           100%
   |=============================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 34 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.931  0.888  0.080    -98.412  4.88   0.0      2     65.029/    65.029
   2      0.034  0.949  0.042   -103.653  4.82   6.4      1     63.787/    63.787
   3      0.042  0.415  0.157   -104.735  4.38  29.1      2     55.009/    55.009
   #SITES = 34: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 32 TRIAL #2 of 8
   --------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 31 sites over 67.5% of top
   31 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.969  0.329  0.945     64.101  5.10
   2      0.618  0.001  0.048     63.131  5.06
   3      0.624  0.007  0.048     62.627  5.03
   #Sites = 31: output truncated to 3 sites

   Top 31 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #2 of 8
   0%               100%
   |=================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 26 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.969  0.329  0.945    -105.75  5.10   0.0      2     64.101/    64.101
   2      0.489  0.373  0.978    -107.47  4.92  29.4      1     60.462/    60.462
   3      0.494  0.166  0.918    -111.81  4.68  24.7      2     55.672/    55.672
   #SITES = 26: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 32 TRIAL #3 of 8
   --------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 26 sites over 67.5% of top
   26 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.336  0.850  0.022     60.920  4.75
   2      0.336  0.349  0.024     55.676  4.48
   3      0.340  0.853  0.023     55.118  4.45
   #Sites = 26: output truncated to 3 sites

   Top 26 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #3 of 8
   0%             100%
   |==============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 20 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.340  0.853  0.023    -107.95  4.45   0.0      2     55.118/    60.920
   2      0.770  0.306  0.006    -109.15  4.34  25.9      1     52.841/    52.841
   3      0.543  0.402  0.974    -110.55  4.45  28.5      2     55.052/    55.052
   #SITES = 20: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 32 TRIAL #4 of 8
   --------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.796  0.727  0.997     58.387  4.78
   2      0.468  0.148  0.106     52.500  4.48
   3      0.417  0.207  0.068     51.435  4.42
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #4 of 8
   0%          100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 19 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.765  0.978  0.099    -111.76  4.23   0.0      1     47.590/    47.590
   2      0.881  0.172  0.022    -111.99  4.33  12.3      1     49.510/    49.510
   3      0.468  0.148  0.106    -112.59  4.48  24.0      1     52.500/    52.500
   #SITES = 19: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 32 TRIAL #5 of 8
   --------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 15 sites over 67.5% of top
   15 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.167  0.233  0.051     57.591  4.77
   2      0.169  0.240  0.051     57.567  4.77
   3      0.500  0.903  0.121     52.417  4.51
   #Sites = 15: output truncated to 3 sites

   Top 15 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #5 of 8
   0%       100%
   |=========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.169  0.240  0.051    -107.07  4.77   0.0      2     57.567/    57.591
   2      0.159  0.239  0.955    -117.16  4.06   9.0      1     43.285/    43.285
   3      0.314  0.071  0.162    -120.71  4.43  19.0      2     50.782/    50.782
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 32 TRIAL #6 of 8
   --------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 81.60 (TFZ=6.0)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.651  0.136  0.075     76.617  5.56
   2      0.646  0.133  0.075     73.168  5.39
   3      0.654  0.643  0.075     61.970  4.81
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #6 of 8
   0%              100%
   |===============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.646  0.133  0.075    -96.734  5.39   0.0      2     73.168/    76.617
   2      0.654  0.643  0.075   -115.652  4.81  28.9      1     61.970/    61.970
   3      0.486  0.258  0.126   -115.977  4.28  15.3      2     51.432/    51.432
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 32 TRIAL #7 of 8
   --------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 85.60 (TFZ=6.3) at Trial #7


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 21 sites over 67.5% of top
   21 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.625  0.785  0.003     85.600  6.26
   2      0.628  0.788  0.004     77.998  5.87
   3      0.625  0.286  0.996     64.658  5.20
   #Sites = 21: output truncated to 3 sites

   Top 21 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #7 of 8
   0%          100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.625  0.785  0.003    -87.500  6.26   0.0      2     85.600/    85.600
   2      0.834  0.434  0.977   -100.748  4.94  28.8      1     59.498/    59.498
   3      0.373  0.445  0.115   -107.258  4.64  20.8      2     53.628/    54.284
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #8 of 32 TRIAL #8 of 8
   --------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.378  0.289  0.020     66.163  5.23
   2      0.725  0.499  0.951     57.490  4.80
   3      0.914  0.976  0.007     55.303  4.69
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #8 of 8
   0%       100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.378  0.289  0.020    -105.91  5.23   0.0      1     66.163/    66.163
   2      0.725  0.499  0.951    -109.45  4.80  18.9      1     57.490/    57.490
   3      0.723  0.002  0.954    -115.41  4.56  25.8      1     52.725/    52.725
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #9 OF 32
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04  0.77 -0.01 BFAC 
    0.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.671   77.884   50.109 RFZ  3.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 183.007 68.119 323.461

   This TF set has 3 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     290.3  105.3  224.9     -11.1  ensemble1
   2     221.7   77.9   50.1     -24.2  ensemble1
   3     183.0   68.1  323.5     -41.0  ensemble1

      0 trial orientations in initial search
      3 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #10 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.905   85.285   42.639 RFZ  3.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.779   51.373  171.421 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.502   79.183  213.679 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.246  127.938  353.879 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.812   93.749   34.231 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.355  106.693  246.557 RFZ  2.58
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 270.243 104.508 135.799

   This TF set has 33 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -28.9  ensemble1
   2      45.9   85.3   42.6     -37.8  ensemble1
   3      36.3   77.2   47.6     -38.2  ensemble1
   4     133.5   77.1   47.2     -39.2  ensemble1
   5     328.3  161.4  331.4     -37.2  ensemble1
   6      28.3   86.6   48.0     -29.6  ensemble1
   7     290.3  105.3  224.9     -23.0  ensemble1
   ----- angles below here for deep search only -----
   8      28.1   94.7  230.3     -36.1  ensemble1
   9     253.3   23.6  167.1     -36.3  ensemble1
   10    158.3  157.5  329.2     -48.6  ensemble1
   11     30.4  107.1   23.3     -31.4  ensemble1
   12    306.5  100.2  239.8     -34.6  ensemble1
   13    209.5  116.4  247.8     -38.8  ensemble1
   14    208.5   58.5   73.5     -42.5  ensemble1
   15     17.5  104.9  227.2     -41.1  ensemble1
   16     40.6   45.6  171.8     -41.2  ensemble1
   17     57.8   51.4  171.4     -48.3  ensemble1
   18    149.0  107.0   23.5     -48.6  ensemble1
   19    358.4  137.3  342.0     -46.6  ensemble1
   20     25.5   79.2  213.7     -46.0  ensemble1
   21    153.3   77.5   48.8     -38.6  ensemble1
   22    134.3   49.2  171.4     -43.4  ensemble1
   23    291.7  163.7  301.3     -39.6  ensemble1
   24     27.3  105.0  226.5     -51.4  ensemble1
   25     91.0   33.1  200.8     -38.5  ensemble1
   26    211.2  153.0  348.3     -39.2  ensemble1
   27    106.0  105.8  220.9     -39.3  ensemble1
   28     83.1   19.1  174.7     -43.2  ensemble1
   29     29.2  127.9  353.9     -53.9  ensemble1
   30     34.8   93.7   34.2     -54.4  ensemble1
   31    279.9   18.6  145.3     -38.4  ensemble1
   32    204.4  106.7  246.6     -42.7  ensemble1
   33    270.2  104.5  135.8     -41.3  ensemble1

      7 trial orientations in initial search
      26 trial orientations in deep search


   Scoring 528 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #10 of 32
   0%                100%
   |==================| DONE

   Mean Score (Sigma):       -224.55   (29.93)

   SET #10 of 32 TRIAL #1 of 7
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.784  0.663  0.978     65.401  5.03
   2      0.968  0.236  0.122     64.864  5.00
   3      0.959  0.227  0.121     60.699  4.79
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #1 of 7
   0%           100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.224  0.629  0.670    -108.72  4.45   0.0      2     53.787/    57.031
   2      0.288  0.245  0.983    -109.00  4.49  18.7      2     54.536/    54.536
   3      0.528  0.293  0.552    -110.98  4.31  34.1      2     51.059/    52.534
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #10 of 32 TRIAL #2 of 7
   ---------------------------
   Ensemble ensemble1 Euler  45.90  85.28  42.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 23 sites over 67.5% of top
   23 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.212  0.571  0.013     59.257  4.88
   2      0.908  0.496  0.853     59.104  4.87
   3      0.091  0.403  0.958     57.547  4.80
   #Sites = 23: output truncated to 3 sites

   Top 23 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #2 of 7
   0%           100%
   |=============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.469  0.947  0.005    -110.00  4.70   0.0      2     55.605/    55.605
   2      0.091  0.403  0.958    -112.22  4.80  28.6      1     57.547/    57.547
   3      0.821  0.008  0.997    -114.19  4.60  19.1      2     53.602/    54.743
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #10 of 32 TRIAL #3 of 7
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.393  0.542  0.038     65.987  5.32
   2      0.231  0.584  0.947     65.603  5.30
   3      0.236  0.588  0.947     62.373  5.14
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #3 of 7
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.393  0.542  0.038    -102.27  5.32   0.0      1     65.987/    65.987
   2      0.231  0.584  0.947    -107.70  5.30  13.9      2     65.603/    65.603
   3      0.936  0.748  0.110    -113.45  4.44  28.6      1     48.140/    48.140
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #10 of 32 TRIAL #4 of 7
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.080  0.366  0.078     70.794  5.46
   2      0.075  0.361  0.078     68.364  5.34
   3      0.857  0.106  0.108     58.199  4.83
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #4 of 7
   0%          100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.080  0.366  0.078    -100.16  5.46   0.0      2     70.794/    70.794
   2      0.879  0.509  0.808    -108.55  4.52  24.7      2     51.935/    51.935
   3      0.080  0.867  0.078    -113.13  4.82  29.2      3     57.989/    57.989
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #10 of 32 TRIAL #5 of 7
   ---------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.537  0.583  0.916     58.626  4.73
   2      0.915  0.391  0.075     55.574  4.57
   3      0.485  0.140  0.668     52.523  4.42
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #5 of 7
   0%       100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.480  0.137  0.668    -114.43  4.15   0.0      2     47.137/    52.523
   2      0.915  0.391  0.075    -114.96  4.57   7.5      1     55.574/    55.574
   3      0.537  0.583  0.916    -115.68  4.73  29.9      1     58.626/    58.626
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #10 of 32 TRIAL #6 of 7
   ---------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.891  0.548  0.999     71.520  5.68
   2      0.892  0.049  0.998     67.768  5.49
   3      0.001  0.188  0.938     55.244  4.87
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #6 of 7
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.001  0.188  0.938    -110.53  4.87   0.0      1     55.244/    55.244
   2      0.891  0.548  0.999    -115.81  5.68  25.6      1     71.520/    71.520
   3      0.104  0.904  0.739    -118.04  4.39  13.7      1     45.692/    45.692
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #10 of 32 TRIAL #7 of 7
   ---------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.071  0.215  0.073     56.905  4.79
   2      0.948  0.950  0.796     52.758  4.58
   3      0.149  0.432  0.188     49.173  4.40
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #7 of 7
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.149  0.432  0.188    -112.88  4.40   0.0      2     49.173/    49.173
   2      0.870  0.262  0.203    -120.24  4.31  14.3      1     47.419/    47.419
   3      0.948  0.950  0.796    -125.02  4.58  23.7      1     52.758/    52.758
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #11 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.45
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.418 105.665 138.444

   This TF set has 9 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     133.5   77.1   47.2     -11.8  ensemble1
   2      45.4   76.5   44.2     -11.6  ensemble1
   3      18.8  106.0  218.5     -17.9  ensemble1
   4     253.3   23.6  167.1     -18.0  ensemble1
   5     195.1   76.2  204.7     -21.7  ensemble1
   6     290.3  105.3  224.9     -16.0  ensemble1
   7      75.8   40.8  208.5     -19.9  ensemble1
   8     351.3  157.9  355.2     -18.4  ensemble1
   9     272.4  105.7  138.4     -64.3  ensemble1

      0 trial orientations in initial search
      9 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #12 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.011   42.976  172.323 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  184.273  134.766  341.965 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  114.747  105.038  134.237 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.894   14.807  147.514 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.502   79.183  213.679 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.104   65.911  153.721 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.601  105.060  226.246 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.246  127.938  353.879 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.839   53.636   62.841 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.681   76.174  204.707 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  259.372   18.186  145.440 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.812   93.749   34.231 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.495   77.587  207.555 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.274  129.771  342.303 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.347  162.259    7.935 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.977   66.970   37.289 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.975   86.889  225.531 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   47.380   34.494  196.953 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.839  102.045  253.282 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.570  126.100  353.960 RFZ  2.35
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.197 107.070 139.171

   This TF set has 54 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     133.5   77.1   47.2     -21.5  ensemble1
   2      36.3   77.2   47.6     -25.1  ensemble1
   3      28.3   86.6   48.0     -27.7  ensemble1
   4     209.5  116.4  247.8     -29.5  ensemble1
   5     290.3  105.3  224.9     -25.2  ensemble1
   6      30.4  107.1   23.3     -29.7  ensemble1
   7     253.3   23.6  167.1     -24.4  ensemble1
   8     306.5  100.2  239.8     -34.5  ensemble1
   9      29.3   81.5   58.8     -30.7  ensemble1
   10     28.1   94.7  230.3     -27.5  ensemble1
   11    351.3  157.9  355.2     -27.0  ensemble1
   ----- angles below here for deep search only -----
   12     17.5  104.9  227.2     -28.2  ensemble1
   13    106.0  105.8  220.9     -31.1  ensemble1
   14    156.3  136.1    8.5     -32.2  ensemble1
   15    158.3  157.5  329.2     -35.0  ensemble1
   16    208.5   58.5   73.5     -36.1  ensemble1
   17    153.3   77.5   48.8     -32.6  ensemble1
   18    149.0  107.0   23.5     -38.7  ensemble1
   19     60.0   43.0  172.3     -37.9  ensemble1
   20    184.3  134.8  342.0     -37.4  ensemble1
   21    308.2   76.6   44.7     -36.2  ensemble1
   22    114.7  105.0  134.2     -38.6  ensemble1
   23    104.9   14.8  147.5     -40.6  ensemble1
   24    134.3   49.2  171.4     -36.5  ensemble1
   25     91.0   33.1  200.8     -34.4  ensemble1
   26    279.9   18.6  145.3     -35.7  ensemble1
   27    211.2  153.0  348.3     -37.0  ensemble1
   28     37.2  105.2  225.8     -36.7  ensemble1
   29     83.1   19.1  174.7     -36.9  ensemble1
   30    294.2   95.7  227.0     -37.6  ensemble1
   31    281.7  106.0  216.9     -38.7  ensemble1
   32     25.5   79.2  213.7     -36.8  ensemble1
   33     27.3  105.0  226.5     -36.6  ensemble1
   34    311.7   93.9  232.4     -38.8  ensemble1
   35    260.1   65.9  153.7     -39.4  ensemble1
   36    270.6  105.1  226.2     -40.9  ensemble1
   37     29.2  127.9  353.9     -41.3  ensemble1
   38    298.6  103.3  232.6     -39.5  ensemble1
   39    212.8   53.6   62.8     -42.4  ensemble1
   40     40.6   45.6  171.8     -36.3  ensemble1
   41     56.7   76.2  204.7     -46.4  ensemble1
   42    267.8   77.6  207.6     -37.7  ensemble1
   43    259.4   18.2  145.4     -42.3  ensemble1
   44     34.8   93.7   34.2     -40.1  ensemble1
   45    295.5   77.6  207.6     -42.8  ensemble1
   46    196.3  129.8  342.3     -40.9  ensemble1
   47    291.7  163.7  301.3     -42.5  ensemble1
   48    234.3  162.3    7.9     -36.3  ensemble1
   49     64.0   67.0   37.3     -44.0  ensemble1
   50    308.0   86.9  225.5     -41.5  ensemble1
   51     47.4   34.5  197.0     -45.2  ensemble1
   52    201.8  102.0  253.3     -44.7  ensemble1
   53    143.6  126.1  354.0     -38.4  ensemble1
   54    273.2  107.1  139.2     -74.6  ensemble1

      11 trial orientations in initial search
      43 trial orientations in deep search


   Scoring 540 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #12 of 32
   0%                           100%
   |============================| DONE

   Mean Score (Sigma):       -221.10   (30.87)

   SET #12 of 32 TRIAL #1 of 11
   ----------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 39 sites over 67.5% of top
   39 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.873  0.539  0.080     64.992  4.92
   2      0.253  0.689  0.856     60.214  4.68
   3      0.964  0.815  0.069     58.735  4.61
   #Sites = 39: output truncated to 3 sites

   Top 39 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #1 of 11
   0%                   100%
   |=====================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 26 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.419  0.102  0.810    -103.62  4.44   0.0      2     55.451/    55.451
   2      0.873  0.539  0.080    -105.15  4.92  14.0      1     64.992/    64.992
   3      0.601  0.286  0.192    -109.81  4.60  16.1      2     58.714/    58.714
   #SITES = 26: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #2 of 11
   ----------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 27 sites over 67.5% of top
   27 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.678  0.425  0.860     65.542  5.15
   2      0.035  0.755  0.952     64.509  5.10
   3      0.031  0.754  0.951     63.868  5.07
   #Sites = 27: output truncated to 3 sites

   Top 27 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #2 of 11
   0%             100%
   |===============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 22 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.708  0.729  0.991    -109.28  4.82   0.0      2     58.902/    58.902
   2      0.678  0.425  0.860    -109.94  5.15  21.0      1     65.542/    65.542
   3      0.190  0.715  0.040    -110.87  4.71  29.0      1     56.603/    56.603
   #SITES = 22: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #3 of 11
   ----------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.690  0.222  0.000     69.832  5.37
   2      0.835  0.629  0.098     69.510  5.36
   3      0.833  0.627  0.098     64.788  5.12
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #3 of 11
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.835  0.629  0.098    -101.38  5.36   0.0      2     69.510/    69.510
   2      0.690  0.222  0.000    -103.35  5.37  22.9      1     69.832/    69.832
   3      0.670  0.617  0.061    -106.98  4.76  10.0      2     57.671/    57.671
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #4 of 11
   ----------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.528  0.357  0.029     68.232  5.22
   2      0.531  0.360  0.031     67.982  5.20
   3      0.975  0.238  0.034     59.408  4.77
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #4 of 11
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.421  0.148  0.113    -108.86  4.13   0.0      1     46.923/    46.923
   2      0.528  0.357  0.029    -110.11  5.22  13.3      2     68.232/    68.232
   3      0.599  0.155  0.478    -113.47  4.39  22.3      1     51.955/    51.955
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #5 of 11
   ----------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.794  0.798  0.037     61.947  4.92
   2      0.350  0.766  0.956     59.169  4.78
   3      0.413  0.795  0.024     58.116  4.73
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #5 of 11
   0%       100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.236  0.224  0.697    -110.75  4.61   0.0      1     55.882/    55.882
   2      0.413  0.795  0.024    -113.22  4.73  24.0      2     58.116/    58.116
   3      0.054  0.764  0.976    -115.83  4.27   6.3      1     49.185/    49.185
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #6 of 11
   ----------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 19 sites over 67.5% of top
   19 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.173  0.882  0.093     63.249  5.08
   2      0.179  0.385  0.092     56.082  4.72
   3      0.943  0.813  0.144     52.806  4.56
   #Sites = 19: output truncated to 3 sites

   Top 19 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #6 of 11
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.173  0.882  0.093    -110.08  5.08   0.0      1     63.249/    63.249
   2      0.320  0.558  0.840    -113.60  4.19  16.0      2     45.589/    46.251
   3      0.179  0.385  0.092    -114.66  4.72  29.3      1     56.082/    56.082
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #7 of 11
   ----------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.606  0.164  0.054     72.953  5.57
   2      0.601  0.161  0.052     72.758  5.56
   3      0.971  0.406  0.005     70.541  5.45
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #7 of 11
   0%          100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.606  0.164  0.054    -105.12  5.57   0.0      2     72.953/    72.953
   2      0.862  0.673  0.932    -112.24  5.09  23.6      2     63.322/    63.322
   3      0.971  0.406  0.005    -114.23  5.45  19.4      1     70.541/    70.541
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #8 of 11
   ----------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 15 sites over 67.5% of top
   15 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.978  0.834  0.615     76.120  5.84
   2      0.970  0.827  0.614     70.256  5.55
   3      0.115  0.897  0.399     63.026  5.18
   #Sites = 15: output truncated to 3 sites

   Top 15 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #8 of 11
   0%       100%
   |=========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.978  0.834  0.615    -87.614  5.84   0.0      2     76.120/    76.120
   2      0.934  0.812  0.013   -104.125  4.51  37.5      1     49.730/    49.730
   3      0.115  0.897  0.399   -106.601  5.18  17.2      1     63.026/    63.026
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #9 of 11
   ----------------------------
   Ensemble ensemble1 Euler  29.30  81.47  58.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.524  0.150  0.181     57.157  5.00
   2      0.766  0.711  0.887     56.581  4.97
   3      0.339  0.770  0.082     49.659  4.62
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #9 of 11
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.766  0.711  0.887    -109.60  4.97   0.0      1     56.581/    56.581
   2      0.524  0.150  0.181    -110.98  5.00  22.9      1     57.157/    57.157
   3      0.339  0.770  0.082    -112.85  4.62  31.1      1     49.659/    49.659
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #10 of 11
   -----------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.788  0.652  0.989     53.200  4.80
   2      0.342  0.906  0.883     50.105  4.64
   3      0.707  0.471  0.055     47.654  4.52
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #10 of 11
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.475  0.860  0.031    -118.79  4.44   0.0      1     46.106/    46.106
   2      0.342  0.906  0.883    -121.43  4.64  16.8      1     50.105/    50.105
   3      0.135  0.599  0.019    -123.34  4.38  18.1      1     44.995/    44.995
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 32 TRIAL #11 of 11
   -----------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 31 sites over 67.5% of top
   31 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.668  0.615  0.969     71.072  5.44
   2      0.474  0.086  0.868     62.600  5.01
   3      0.229  0.733  0.075     59.939  4.88
   #Sites = 31: output truncated to 3 sites

   Top 31 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #11 of 11
   0%               100%
   |=================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 17 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.668  0.615  0.969    -101.58  5.44   0.0      1     71.072/    71.072
   2      0.972  0.543  0.959    -108.99  4.52  20.2      3     52.750/    52.750
   3      0.365  0.154  0.940    -110.99  4.55  23.9      2     53.422/    53.422
   #SITES = 17: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #13 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.612   64.043  173.810 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.781   14.343  195.023 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.88
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.262 105.870 137.302

   This TF set has 20 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8      -3.0  ensemble1
   2      36.3   77.2   47.6      -8.7  ensemble1
   3     290.3  105.3  224.9     -13.6  ensemble1
   ----- angles below here for deep search only -----
   4      28.3   86.6   48.0     -10.5  ensemble1
   5     133.5   77.1   47.2      -6.5  ensemble1
   6     328.3  161.4  331.4     -16.5  ensemble1
   7      30.4  107.1   23.3     -13.6  ensemble1
   8     209.5  116.4  247.8     -11.8  ensemble1
   9     260.6   64.0  173.8     -16.7  ensemble1
   10    208.3   86.6   48.0     -15.9  ensemble1
   11    253.3   23.6  167.1     -13.7  ensemble1
   12    176.1  131.4  342.1     -19.8  ensemble1
   13    173.8   14.3  195.0     -23.7  ensemble1
   14     17.5  104.9  227.2     -17.4  ensemble1
   15     15.5  144.7   20.9     -18.5  ensemble1
   16     28.1   94.7  230.3     -14.1  ensemble1
   17    156.3  136.1    8.5     -18.8  ensemble1
   18    306.5  100.2  239.8     -13.9  ensemble1
   19    149.0  107.0   23.5     -21.3  ensemble1
   20    272.3  105.9  137.3     -61.6  ensemble1

      3 trial orientations in initial search
      17 trial orientations in deep search


   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #13 of 32
   0%          100%
   |===========| DONE

   Mean Score (Sigma):       -224.26   (37.52)

   SET #13 of 32 TRIAL #1 of 3
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.773  0.980  0.087     50.844  4.51
   2      0.765  0.972  0.090     50.669  4.50
   3      0.507  0.118  0.347     48.861  4.41
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 32 TRIAL #1 of 3
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.773  0.980  0.087    -111.11  4.51   0.0      2     50.844/    50.844
   2      0.507  0.118  0.347    -119.11  4.41  26.1      1     48.861/    48.861
   3      0.306  0.273  0.160    -119.43  4.28  27.9      3     46.277/    48.505
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 32 TRIAL #2 of 3
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.878  0.580  0.072     60.633  5.23
   2      0.881  0.583  0.072     58.816  5.14
   3      0.512  0.068  0.951     52.048  4.80
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 32 TRIAL #2 of 3
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.881  0.583  0.072    -104.14  5.14   0.0      2     58.816/    60.633
   2      0.179  0.090  0.867    -111.05  4.37  31.2      1     43.568/    43.568
   3      0.512  0.068  0.951    -111.09  4.80  22.3      1     52.048/    52.048
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 32 TRIAL #3 of 3
   ---------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.530  0.959  0.836     60.136  5.08
   2      0.524  0.953  0.836     59.596  5.06
   3      0.068  0.097  0.971     55.517  4.85
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 32 TRIAL #3 of 3
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.524  0.953  0.836    -102.35  5.06   0.0      2     59.596/    60.136
   2      0.018  0.201  0.910    -109.45  4.43  26.0      1     47.351/    47.351
   3      0.435  0.154  0.020    -110.71  4.36  23.0      1     45.999/    45.999
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #14 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=164
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.318   64.131   64.373 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.918   64.669   65.506 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 271.100 104.004 135.590

   This TF set has 26 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     133.5   77.1   47.2     -18.2  ensemble1
   2     188.3  126.4  342.8     -10.7  ensemble1
   3     328.3  161.4  331.4     -18.7  ensemble1
   4      30.4  107.1   23.3     -21.1  ensemble1
   5     290.3  105.3  224.9     -16.6  ensemble1
   6      36.3   77.2   47.6     -14.3  ensemble1
   ----- angles below here for deep search only -----
   7     253.3   23.6  167.1     -23.6  ensemble1
   8      66.1   44.4  159.2     -30.4  ensemble1
   9      28.3   86.6   48.0     -17.3  ensemble1
   10     18.8  106.0  218.5     -23.6  ensemble1
   11    227.8   52.7  171.5     -24.8  ensemble1
   12     28.1   94.7  230.3     -25.7  ensemble1
   13    306.5  100.2  239.8     -27.1  ensemble1
   14     34.3   64.1   64.4     -29.7  ensemble1
   15    211.9   64.7   65.5     -27.9  ensemble1
   16    209.5  116.4  247.8     -22.0  ensemble1
   17    149.0  107.0   23.5     -27.1  ensemble1
   18    106.0  105.8  220.9     -27.4  ensemble1
   19    158.3  157.5  329.2     -28.1  ensemble1
   20     83.1   19.1  174.7     -29.8  ensemble1
   21     15.5  144.7   20.9     -25.2  ensemble1
   22    358.4  137.3  342.0     -27.8  ensemble1
   23    279.9   18.6  145.3     -29.7  ensemble1
   24     40.6   45.6  171.8     -30.2  ensemble1
   25    153.3   77.5   48.8     -28.5  ensemble1
   26    271.1  104.0  135.6     -69.9  ensemble1

      6 trial orientations in initial search
      20 trial orientations in deep search


   Scoring 520 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #14 of 32
   0%             100%
   |==============| DONE

   Mean Score (Sigma):       -225.28   (31.56)

   SET #14 of 32 TRIAL #1 of 6
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.274  0.616  0.927     60.769  4.94
   2      0.277  0.121  0.927     53.909  4.60
   3      0.004  0.523  0.994     50.205  4.42
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 32 TRIAL #1 of 6
   0%         100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.274  0.616  0.927    -107.77  4.94   0.0      1     60.769/    60.769
   2      0.277  0.121  0.927    -116.33  4.60  29.1      1     53.909/    53.909
   3      0.454  0.467  0.232    -117.18  4.41  19.5      1     50.059/    50.059
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #14 of 32 TRIAL #2 of 6
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.878  0.473  0.082     57.696  4.90
   2      0.715  0.691  0.984     50.728  4.55
   3      0.945  0.940  0.046     50.676  4.55
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 32 TRIAL #2 of 6
   0%        100%
   |=========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.052  0.466  0.986    -116.88  4.49   0.0      2     49.540/    49.540
   2      0.945  0.940  0.046    -118.36  4.55  28.8      1     50.676/    50.676
   3      0.715  0.691  0.984    -118.50  4.55  28.7      1     50.728/    50.728
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #14 of 32 TRIAL #3 of 6
   ---------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.858  0.935  0.075     61.169  4.92
   2      0.856  0.432  0.079     57.955  4.75
   3      0.628  0.413  0.180     55.022  4.61
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 32 TRIAL #3 of 6
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.630  0.182  0.180    -108.05  4.52   0.0      2     53.379/    53.379
   2      0.628  0.413  0.180    -115.10  4.61  13.6      1     55.022/    55.022
   3      0.858  0.935  0.075    -116.65  4.92  26.0      1     61.169/    61.169
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #14 of 32 TRIAL #4 of 6
   ---------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.933  0.960     48.137  4.53
   2      0.147  0.435  0.040     46.245  4.44
   3      0.520  0.062  0.070     46.028  4.42
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 32 TRIAL #4 of 6
   0%     100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.372  0.532  0.050    -119.31  4.37   0.0      2     45.002/    45.002
   2      0.147  0.435  0.040    -119.36  4.44  11.5      1     46.245/    46.245
   3      0.520  0.062  0.070    -121.12  4.42  27.8      2     46.028/    46.028
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #14 of 32 TRIAL #5 of 6
   ---------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.349  0.763  0.828     53.309  4.61
   2      0.893  0.998  0.968     51.778  4.53
   3      0.663  0.260  0.893     51.497  4.51
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 32 TRIAL #5 of 6
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.065  0.160  0.783    -118.29  4.44   0.0      1     49.975/    49.975
   2      0.893  0.998  0.968    -118.47  4.53  19.8      1     51.778/    51.778
   3      0.896  0.498  0.968    -119.05  4.51  26.2      1     51.331/    51.331
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #14 of 32 TRIAL #6 of 6
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.170  0.114  0.951     49.428  4.71
   2      0.924  0.588  0.936     49.264  4.70
   3      0.423  0.362  0.096     47.691  4.63
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 32 TRIAL #6 of 6
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.924  0.588  0.936    -114.90  4.70   0.0      1     49.264/    49.264
   2      0.926  0.093  0.941    -121.63  4.50  29.1      1     45.200/    45.200
   3      0.423  0.362  0.096    -125.20  4.63  29.6      1     47.691/    47.691
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #15 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.918   64.669   65.506 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.09
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.170 106.752 138.850

   This TF set has 16 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -11.4  ensemble1
   ----- angles below here for deep search only -----
   2      36.3   77.2   47.6     -15.8  ensemble1
   3     133.5   77.1   47.2     -10.7  ensemble1
   4     253.3   23.6  167.1     -16.8  ensemble1
   5      28.3   86.6   48.0     -17.9  ensemble1
   6     290.3  105.3  224.9     -15.0  ensemble1
   7      18.8  106.0  218.5     -19.1  ensemble1
   8     208.3   86.6   48.0     -29.0  ensemble1
   9      75.8   40.8  208.5     -20.9  ensemble1
   10    351.3  157.9  355.2     -18.7  ensemble1
   11    306.5  100.2  239.8     -21.3  ensemble1
   12     28.1   94.7  230.3     -20.8  ensemble1
   13    211.9   64.7   65.5     -21.6  ensemble1
   14     30.4  107.1   23.3     -14.0  ensemble1
   15     15.5  144.7   20.9     -24.6  ensemble1
   16    272.2  106.8  138.9     -64.5  ensemble1

      1 trial orientations in initial search
      15 trial orientations in deep search


   Scoring 512 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #15 of 32
   0%        100%
   |=========| DONE

   Mean Score (Sigma):       -229.37   (41.76)

   SET #15 of 32 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.662  0.067  0.854     50.010  4.60
   2      0.374  0.166  0.067     49.561  4.58
   3      0.311  0.254  0.157     49.077  4.55
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #15 of 32 TRIAL #1 of 1
   0%     100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.367  0.164  0.066    -119.51  4.34   0.0      2     44.705/    49.561
   2      0.662  0.067  0.854    -122.48  4.60  28.7      1     50.010/    50.010
   3      0.311  0.254  0.157    -123.15  4.55  11.4      1     49.077/    49.077
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #16 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.905   85.285   42.639 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.15
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.489 107.147 138.248

   This TF set has 13 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     133.5   77.1   47.2     -18.4  ensemble1
   ----- angles below here for deep search only -----
   2      36.3   77.2   47.6     -17.9  ensemble1
   3      45.9   85.3   42.6     -25.9  ensemble1
   4     195.1   76.2  204.7     -26.1  ensemble1
   5      28.3   86.6   48.0     -19.8  ensemble1
   6     351.3  157.9  355.2     -22.6  ensemble1
   7     290.3  105.3  224.9     -19.9  ensemble1
   8     208.3   86.6   48.0     -21.8  ensemble1
   9      30.4  107.1   23.3     -24.9  ensemble1
   10     17.5  104.9  227.2     -24.3  ensemble1
   11    253.3   23.6  167.1     -19.7  ensemble1
   12     15.5  144.7   20.9     -26.2  ensemble1
   13    272.5  107.1  138.2     -67.8  ensemble1

      1 trial orientations in initial search
      12 trial orientations in deep search


   Scoring 507 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #16 of 32
   0%      100%
   |========| DONE

   Mean Score (Sigma):       -232.69   (43.55)

   SET #16 of 32 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.621  0.242  0.035     55.249  5.06
   2      0.876  0.645  0.079     52.664  4.93
   3      0.619  0.746  0.039     49.622  4.78
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #16 of 32 TRIAL #1 of 1
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.876  0.645  0.079    -121.56  4.93   0.0      1     52.664/    52.664
   2      0.087  0.584  0.917    -122.14  4.49  21.0      1     43.721/    43.721
   3      0.311  0.778  0.117    -122.17  4.50  22.9      2     44.082/    44.082
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #17 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=163
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.52
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.559 106.952 139.372

   This TF set has 7 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     188.3  126.4  342.8     -14.9  ensemble1
   2      36.3   77.2   47.6     -18.0  ensemble1
   3     133.5   77.1   47.2     -16.6  ensemble1
   4      28.3   86.6   48.0     -22.1  ensemble1
   5     195.1   76.2  204.7     -21.5  ensemble1
   6     328.3  161.4  331.4     -24.6  ensemble1
   7     272.6  107.0  139.4     -74.1  ensemble1

      0 trial orientations in initial search
      7 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #18 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=163
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.587 106.562 139.244

   This TF set has 16 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -19.2  ensemble1
   ----- angles below here for deep search only -----
   2     133.5   77.1   47.2     -21.8  ensemble1
   3      36.3   77.2   47.6     -20.6  ensemble1
   4     328.3  161.4  331.4     -25.5  ensemble1
   5      28.3   86.6   48.0     -24.8  ensemble1
   6     290.3  105.3  224.9     -27.3  ensemble1
   7     209.5  116.4  247.8     -28.3  ensemble1
   8     253.3   23.6  167.1     -28.2  ensemble1
   9      18.8  106.0  218.5     -27.6  ensemble1
   10     29.3   81.5   58.8     -29.2  ensemble1
   11     30.4  107.1   23.3     -31.0  ensemble1
   12     28.1   94.7  230.3     -30.2  ensemble1
   13    308.5  103.6  231.9     -28.4  ensemble1
   14     15.5  144.7   20.9     -31.9  ensemble1
   15     91.0   33.1  200.8     -35.1  ensemble1
   16    272.6  106.6  139.2     -75.1  ensemble1

      1 trial orientations in initial search
      15 trial orientations in deep search


   Scoring 512 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #18 of 32
   0%        100%
   |=========| DONE

   Mean Score (Sigma):       -228.08   (39.33)

   SET #18 of 32 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.265  0.375  0.985     60.599  5.07
   2      0.267  0.878  0.987     59.513  5.02
   3      0.274  0.384  0.986     56.347  4.86
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #18 of 32 TRIAL #1 of 1
   0%       100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.265  0.375  0.985    -103.32  5.07   0.0      2     60.599/    60.599
   2      0.267  0.878  0.987    -105.86  5.02  29.1      1     59.513/    59.513
   3      0.888  0.303  0.994    -112.83  4.32  20.3      1     45.601/    45.601
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #19 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.668  106.547   24.069 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.946  109.014  125.881 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.728   16.479  182.851 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.54
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.795 106.998 138.434

   This TF set has 38 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -11.6  ensemble1
   2     133.5   77.1   47.2     -17.1  ensemble1
   3      36.3   77.2   47.6     -18.0  ensemble1
   4     290.3  105.3  224.9     -19.8  ensemble1
   5      30.4  107.1   23.3     -23.2  ensemble1
   6      28.3   86.6   48.0     -18.5  ensemble1
   7     328.3  161.4  331.4     -18.2  ensemble1
   8      17.5  104.9  227.2     -24.7  ensemble1
   ----- angles below here for deep search only -----
   9     253.3   23.6  167.1     -21.0  ensemble1
   10    209.5  116.4  247.8     -20.6  ensemble1
   11     28.1   94.7  230.3     -24.1  ensemble1
   12    144.7  106.5   24.1     -29.3  ensemble1
   13     15.5  144.7   20.9     -26.8  ensemble1
   14    156.3  136.1    8.5     -31.0  ensemble1
   15    106.0  105.8  220.9     -28.4  ensemble1
   16    306.5  100.2  239.8     -25.3  ensemble1
   17    110.9  109.0  125.9     -30.6  ensemble1
   18     83.1   19.1  174.7     -29.4  ensemble1
   19     91.0   33.1  200.8     -26.8  ensemble1
   20    153.3   77.5   48.8     -29.1  ensemble1
   21    208.5   58.5   73.5     -32.7  ensemble1
   22     66.1   44.4  159.2     -29.0  ensemble1
   23     29.0   76.2  204.7     -35.3  ensemble1
   24    211.2  153.0  348.3     -32.0  ensemble1
   25    134.3   49.2  171.4     -32.0  ensemble1
   26    311.7   93.9  232.4     -35.2  ensemble1
   27     27.3  105.0  226.5     -33.5  ensemble1
   28    358.4  137.3  342.0     -32.6  ensemble1
   29     40.6   45.6  171.8     -34.7  ensemble1
   30    281.7  106.0  216.9     -33.2  ensemble1
   31      8.7   16.5  182.9     -31.1  ensemble1
   32     37.2  105.2  225.8     -29.4  ensemble1
   33    294.2   95.7  227.0     -31.7  ensemble1
   34    308.2   76.6   44.7     -29.4  ensemble1
   35    279.9   18.6  145.3     -33.2  ensemble1
   36    298.6  103.3  232.6     -33.9  ensemble1
   37    267.8   77.6  207.6     -36.2  ensemble1
   38    272.8  107.0  138.4     -67.4  ensemble1

      8 trial orientations in initial search
      30 trial orientations in deep search


   Scoring 532 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #19 of 32
   0%                   100%
   |====================| DONE

   Mean Score (Sigma):       -218.73   (31.19)

   SET #19 of 32 TRIAL #1 of 8
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 19 sites over 67.5% of top
   19 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.376  0.308  0.159     64.133  5.05
   2      0.379  0.807  0.156     63.672  5.02
   3      0.597  0.091  0.043     60.084  4.84
   #Sites = 19: output truncated to 3 sites

   Top 19 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #1 of 8
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.379  0.807  0.156    -99.774  5.02   0.0      1     63.672/    63.672
   2      0.376  0.308  0.159   -100.618  5.05  29.2      1     64.133/    64.133
   3      0.099  0.468  0.361   -103.105  4.55  20.6      3     54.276/    54.276
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 32 TRIAL #2 of 8
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.721  0.050  0.037     58.579  4.74
   2      0.355  0.172  0.055     54.619  4.54
   3      0.586  0.043  0.066     53.827  4.50
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #2 of 8
   0%         100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.577  0.529  0.068    -109.23  4.16   0.0      2     47.072/    52.345
   2      0.427  0.923  0.987    -113.24  4.33  24.6      1     50.419/    50.419
   3      0.965  0.061  0.996    -113.90  4.37  28.7      2     51.250/    51.250
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 32 TRIAL #3 of 8
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.495  0.549  0.990     63.934  5.23
   2      0.790  0.840  0.048     59.595  5.01
   3      0.788  0.339  0.048     58.395  4.95
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #3 of 8
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.495  0.549  0.990    -107.06  5.23   0.0      1     63.934/    63.934
   2      0.946  0.608  0.073    -110.81  4.78  25.8      1     55.010/    55.010
   3      0.790  0.840  0.048    -115.58  5.01  18.0      1     59.595/    59.595
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 32 TRIAL #4 of 8
   ---------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.505  0.684  0.024     58.690  4.78
   2      0.602  0.995  0.837     58.329  4.76
   3      0.507  0.685  0.025     51.849  4.43
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #4 of 8
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.505  0.684  0.024    -101.66  4.78   0.0      2     58.690/    58.690
   2      0.138  0.468  0.569    -108.08  4.22  20.0      2     47.778/    48.767
   3      0.707  0.732  0.975    -111.27  4.27  11.6      1     48.882/    48.882
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 32 TRIAL #5 of 8
   ---------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.343  0.223  0.944     54.688  4.77
   2      0.487  0.911  0.168     51.252  4.60
   3      0.490  0.913  0.167     51.091  4.59
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #5 of 8
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.350  0.227  0.945    -114.23  4.44   0.0      2     48.041/    54.688
   2      0.180  0.137  0.181    -114.53  4.49  23.7      1     49.005/    49.005
   3      0.487  0.911  0.168    -116.77  4.60  31.6      2     51.252/    51.252
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 32 TRIAL #6 of 8
   ---------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.792  0.620  0.001     71.685  5.71
   2      0.788  0.118  0.998     68.302  5.54
   3      0.995  0.261  0.981     54.733  4.85
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #6 of 8
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.792  0.620  0.001    -96.629  5.71   0.0      1     71.685/    71.685
   2      0.788  0.118  0.998   -103.427  5.54  29.3      1     68.302/    68.302
   3      0.995  0.261  0.981   -108.600  4.85  28.9      1     54.733/    54.733
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 32 TRIAL #7 of 8
   ---------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.819  0.976  0.075     70.467  5.41
   2      0.819  0.472  0.079     61.031  4.92
   3      0.818  0.973  0.076     60.198  4.88
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #7 of 8
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.818  0.973  0.076    -98.226  4.88   0.0      2     60.198/    70.467
   2      0.599  0.958  0.182   -105.318  4.48  15.9      2     52.481/    60.125
   3      0.297  0.639  0.588   -106.962  4.40  28.2      1     51.080/    51.080
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 32 TRIAL #8 of 8
   ---------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.390  0.925  0.970     48.280  4.59
   2      0.540  0.397  0.197     46.493  4.50
   3      0.392  0.926  0.971     44.177  4.39

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #8 of 8
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.392  0.926  0.971    -117.91  4.39   0.0      2     44.177/    48.280
   2      0.540  0.397  0.197    -121.28  4.50  16.1      1     46.493/    46.493


------------------------------
TRANSLATION FUNCTION #20 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.99
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 180.010 65.395 326.276

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     290.3  105.3  224.9     -12.1  ensemble1
   2     180.0   65.4  326.3     -49.8  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #21 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=162
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29  0.64 -0.01 BFAC 
    0.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  4.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  3.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  3.05
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.051 108.466 140.287

   This TF set has 10 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1      36.3   77.2   47.6     -43.8  ensemble1
   ----- angles below here for deep search only -----
   2      30.4  107.1   23.3     -36.6  ensemble1
   3     290.3  105.3  224.9     -24.1  ensemble1
   4     328.3  161.4  331.4     -45.3  ensemble1
   5     308.5  103.6  231.9     -41.9  ensemble1
   6     253.3   23.6  167.1     -41.4  ensemble1
   7     106.0  105.8  220.9     -44.4  ensemble1
   8      17.5  104.9  227.2     -45.3  ensemble1
   9     134.3   49.2  171.4     -45.3  ensemble1
   10    273.1  108.5  140.3     -48.7  ensemble1

      1 trial orientations in initial search
      9 trial orientations in deep search


   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #21 of 32
   0%     100%
   |======| DONE

   Mean Score (Sigma):       -234.47   (47.07)

   SET #21 of 32 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.013  0.159  0.068     58.836  5.17
   2      0.012  0.158  0.068     57.741  5.12
   3      0.740  0.072  0.090     49.221  4.70
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #21 of 32 TRIAL #1 of 1
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.013  0.159  0.068    -110.08  5.17   0.0      2     58.836/    58.836
   2      0.011  0.656  0.072    -116.89  4.46  29.2      1     44.390/    44.390
   3      0.591  0.975  0.977    -118.86  4.52  23.1      1     45.512/    45.512
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #22 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=161
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.96
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.533 105.493 138.336

   This TF set has 17 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -14.2  ensemble1
   2     133.5   77.1   47.2     -20.4  ensemble1
   ----- angles below here for deep search only -----
   3      28.3   86.6   48.0     -19.9  ensemble1
   4     290.3  105.3  224.9     -20.4  ensemble1
   5      36.3   77.2   47.6     -13.0  ensemble1
   6     253.3   23.6  167.1     -25.7  ensemble1
   7      18.8  106.0  218.5     -24.4  ensemble1
   8      30.4  107.1   23.3     -20.2  ensemble1
   9     328.3  161.4  331.4     -21.9  ensemble1
   10    228.6   51.0  182.9     -28.1  ensemble1
   11    209.5  116.4  247.8     -27.7  ensemble1
   12     28.1   94.7  230.3     -29.8  ensemble1
   13    306.5  100.2  239.8     -24.5  ensemble1
   14     66.1   44.4  159.2     -29.2  ensemble1
   15    279.9   18.6  145.3     -30.6  ensemble1
   16    156.3  136.1    8.5     -26.3  ensemble1
   17    272.5  105.5  138.3     -66.7  ensemble1

      2 trial orientations in initial search
      15 trial orientations in deep search


   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #22 of 32
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       -229.45   (37.16)

   SET #22 of 32 TRIAL #1 of 2
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.087  0.042     47.668  4.62
   2      0.702  0.090  0.854     46.240  4.55
   3      0.095  0.211  0.079     45.751  4.53
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #22 of 32 TRIAL #1 of 2
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.095  0.211  0.079    -116.01  4.53   0.0      2     45.751/    45.751
   2      0.702  0.090  0.854    -122.24  4.55  18.3      1     46.240/    46.240
   3      0.197  0.736  0.157    -125.57  4.48  27.3      1     44.767/    44.767
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #22 of 32 TRIAL #2 of 2
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.961  0.556  0.001     52.095  4.86
   2      0.232  0.798  0.971     44.953  4.50
   3      0.911  0.474  0.093     44.938  4.50
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #22 of 32 TRIAL #2 of 2
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.961  0.556  0.001    -121.90  4.86   0.0      1     52.095/    52.095
   2      0.232  0.798  0.971    -122.35  4.50  15.4      1     44.953/    44.953
   3      0.911  0.474  0.093    -127.57  4.50   9.7      1     44.938/    44.938
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #23 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.14
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 271.733 105.351 136.910

   This TF set has 14 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -13.1  ensemble1
   ----- angles below here for deep search only -----
   2      36.3   77.2   47.6     -18.0  ensemble1
   3      28.3   86.6   48.0     -17.5  ensemble1
   4     290.3  105.3  224.9     -18.0  ensemble1
   5      30.4  107.1   23.3     -22.7  ensemble1
   6     195.1   76.2  204.7     -22.1  ensemble1
   7     328.3  161.4  331.4     -22.9  ensemble1
   8      75.8   40.8  208.5     -23.4  ensemble1
   9     306.5  100.2  239.8     -26.1  ensemble1
   10    253.3   23.6  167.1     -21.0  ensemble1
   11    158.3  157.5  329.2     -31.5  ensemble1
   12    176.1  131.4  342.1     -27.6  ensemble1
   13     18.8  106.0  218.5     -22.7  ensemble1
   14    271.7  105.4  136.9     -68.8  ensemble1

      1 trial orientations in initial search
      13 trial orientations in deep search


   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #23 of 32
   0%       100%
   |========| DONE

   Mean Score (Sigma):       -232.85   (41.47)

   SET #23 of 32 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.513  0.704  0.986     53.333  4.92
   2      0.434  0.583  0.043     48.731  4.69
   3      0.217  0.885  0.896     47.751  4.64
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #23 of 32 TRIAL #1 of 1
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.513  0.704  0.986    -111.10  4.92   0.0      1     53.333/    53.333
   2      0.001  0.791  0.985    -120.71  4.45  26.5      1     43.753/    43.753
   3      0.434  0.583  0.043    -123.20  4.69   8.2      1     48.731/    48.731
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #24 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  3.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.92
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.871 107.056 139.178

   This TF set has 20 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     133.5   77.1   47.2     -17.9  ensemble1
   2     188.3  126.4  342.8     -15.0  ensemble1
   3      28.3   86.6   48.0     -19.3  ensemble1
   ----- angles below here for deep search only -----
   4      36.3   77.2   47.6     -18.1  ensemble1
   5      29.3   81.5   58.8     -27.1  ensemble1
   6     290.3  105.3  224.9     -21.5  ensemble1
   7      18.8  106.0  218.5     -26.9  ensemble1
   8     328.3  161.4  331.4     -23.3  ensemble1
   9      30.4  107.1   23.3     -22.1  ensemble1
   10    253.3   23.6  167.1     -26.1  ensemble1
   11    134.3   49.2  171.4     -31.9  ensemble1
   12    306.5  100.2  239.8     -25.6  ensemble1
   13     28.1   94.7  230.3     -28.8  ensemble1
   14    208.5   58.5   73.5     -32.2  ensemble1
   15    209.5  116.4  247.8     -30.8  ensemble1
   16    211.2  153.0  348.3     -36.3  ensemble1
   17    156.3  136.1    8.5     -32.4  ensemble1
   18    292.1   79.3  216.8     -32.7  ensemble1
   19    106.0  105.8  220.9     -30.0  ensemble1
   20    272.9  107.1  139.2     -69.1  ensemble1

      3 trial orientations in initial search
      17 trial orientations in deep search


   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #24 of 32
   0%          100%
   |===========| DONE

   Mean Score (Sigma):       -226.80   (35.10)

   SET #24 of 32 TRIAL #1 of 3
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.904  0.724  0.073     61.101  5.17
   2      0.909  0.731  0.072     59.630  5.09
   3      0.837  0.775  0.091     53.401  4.78
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #24 of 32 TRIAL #1 of 3
   0%     100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.909  0.731  0.072    -102.97  5.09   0.0      2     59.630/    61.101
   2      0.841  0.780  0.093    -113.02  4.60   6.3      2     49.936/    53.401
   3      0.835  0.270  0.095    -119.10  4.56  25.2      1     49.025/    49.025
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #24 of 32 TRIAL #2 of 3
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.113  0.106  0.988     60.126  5.23
   2      0.730  0.545  0.997     50.776  4.77
   3      0.178  0.442  0.055     49.006  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #24 of 32 TRIAL #2 of 3
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.113  0.106  0.988    -103.95  5.23   0.0      1     60.126/    60.126
   2      0.173  0.438  0.055    -118.28  4.68  19.0      2     48.994/    49.006
   3      0.305  0.605  0.157    -122.14  4.55  30.1      1     46.330/    46.330
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #24 of 32 TRIAL #3 of 3
   ---------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.712  0.907  0.998     58.567  5.16
   2      0.714  0.911  0.999     57.631  5.11
   3      0.714  0.402  0.999     50.708  4.77
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #24 of 32 TRIAL #3 of 3
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.714  0.911  0.999    -109.44  5.11   0.0      2     57.631/    58.567
   2      0.201  0.644  0.169    -115.38  4.53  20.7      2     45.864/    46.514
   3      0.075  0.341  0.139    -120.57  4.49  26.9      1     45.044/    45.044
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #25 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.368  122.442  354.403 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.011   42.976  172.323 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.009  111.559  127.378 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.112 107.090 139.427

   This TF set has 31 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -14.8  ensemble1
   2     133.5   77.1   47.2     -14.7  ensemble1
   3      36.3   77.2   47.6     -16.8  ensemble1
   4      28.3   86.6   48.0     -15.1  ensemble1
   ----- angles below here for deep search only -----
   5     351.3  157.9  355.2     -22.0  ensemble1
   6     195.1   76.2  204.7     -21.0  ensemble1
   7     290.3  105.3  224.9     -18.7  ensemble1
   8      30.4  107.1   23.3     -23.1  ensemble1
   9     253.3   23.6  167.1     -23.1  ensemble1
   10     75.8   40.8  208.5     -22.6  ensemble1
   11    192.4  122.4  354.4     -24.3  ensemble1
   12     15.5  144.7   20.9     -28.1  ensemble1
   13    209.5  116.4  247.8     -26.2  ensemble1
   14    176.1  131.4  342.1     -28.0  ensemble1
   15     28.1   94.7  230.3     -25.2  ensemble1
   16    156.3  136.1    8.5     -26.6  ensemble1
   17    306.5  100.2  239.8     -24.3  ensemble1
   18    208.5   58.5   73.5     -25.5  ensemble1
   19    158.3  157.5  329.2     -30.6  ensemble1
   20     17.5  104.9  227.2     -23.2  ensemble1
   21    134.3   49.2  171.4     -23.5  ensemble1
   22    228.6   51.0  182.9     -26.5  ensemble1
   23     91.0   33.1  200.8     -32.1  ensemble1
   24    149.0  107.0   23.5     -31.6  ensemble1
   25     60.0   43.0  172.3     -29.6  ensemble1
   26    108.0  111.6  127.4     -29.0  ensemble1
   27    292.1   79.3  216.8     -26.7  ensemble1
   28    211.2  153.0  348.3     -26.5  ensemble1
   29     83.1   19.1  174.7     -29.9  ensemble1
   30     40.6   45.6  171.8     -30.7  ensemble1
   31    273.1  107.1  139.4     -66.8  ensemble1

      4 trial orientations in initial search
      27 trial orientations in deep search


   Scoring 527 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #25 of 32
   0%               100%
   |=================| DONE

   Mean Score (Sigma):       -224.75   (33.82)

   SET #25 of 32 TRIAL #1 of 4
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.548  0.711  0.950     51.990  4.67
   2      0.545  0.209  0.950     50.521  4.60
   3      0.895  0.401  0.669     49.943  4.57
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #25 of 32 TRIAL #1 of 4
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.895  0.401  0.669    -113.97  4.57   0.0      2     49.943/    49.943
   2      0.952  0.023  0.988    -118.41  4.46  38.4      2     47.769/    47.769
   3      0.545  0.209  0.950    -119.89  4.60  16.2      1     50.521/    50.521
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #25 of 32 TRIAL #2 of 4
   ---------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.738  0.272  0.003     50.927  4.63
   2      0.502  0.254  0.043     49.074  4.54
   3      0.388  0.607  0.988     48.339  4.50
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #25 of 32 TRIAL #2 of 4
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.389  0.610  0.988    -109.84  4.30   0.0      2     44.434/    48.339
   2      0.290  0.701  0.812    -115.89  4.34  15.5      1     45.108/    45.108
   3      0.297  0.207  0.813    -117.76  4.48  27.0      1     47.924/    47.924
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #25 of 32 TRIAL #3 of 4
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.427  0.416  0.981     55.964  5.08
   2      0.660  0.329  0.936     55.594  5.06
   3      0.910  0.371  0.948     50.190  4.79
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #25 of 32 TRIAL #3 of 4
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.427  0.416  0.981    -113.33  5.08   0.0      1     55.964/    55.964
   2      0.910  0.371  0.948    -115.13  4.79  29.3      1     50.190/    50.190
   3      0.660  0.329  0.936    -115.64  5.06  17.3      1     55.594/    55.594
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #25 of 32 TRIAL #4 of 4
   ---------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.570  0.334  0.002     60.984  5.27
   2      0.570  0.835  0.002     59.594  5.20
   3      0.340  0.851  0.998     49.727  4.71
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #25 of 32 TRIAL #4 of 4
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.570  0.334  0.002    -108.52  5.27   0.0      1     60.984/    60.984
   2      0.570  0.835  0.002    -109.88  5.20  29.2      1     59.594/    59.594
   3      0.340  0.851  0.998    -111.57  4.71  24.5      1     49.727/    49.727
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #26 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.368  122.442  354.403 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.46
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.697 107.153 139.517

   This TF set has 8 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     188.3  126.4  342.8     -11.1  ensemble1
   2      28.3   86.6   48.0     -15.4  ensemble1
   3     133.5   77.1   47.2     -14.6  ensemble1
   4      45.4   76.5   44.2     -17.4  ensemble1
   5     192.4  122.4  354.4     -19.5  ensemble1
   6     328.3  161.4  331.4     -18.7  ensemble1
   7     290.3  105.3  224.9     -18.2  ensemble1
   8     272.7  107.2  139.5     -69.6  ensemble1

      0 trial orientations in initial search
      8 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #27 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.38
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.636 108.779 140.081

   This TF set has 7 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      28.3   86.6   48.0     -22.1  ensemble1
   2      36.3   77.2   47.6     -23.5  ensemble1
   3      29.3   81.5   58.8     -25.5  ensemble1
   4     290.3  105.3  224.9     -26.1  ensemble1
   5     133.5   77.1   47.2     -22.7  ensemble1
   6      30.4  107.1   23.3     -28.8  ensemble1
   7     273.6  108.8  140.1     -75.0  ensemble1

      0 trial orientations in initial search
      7 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #28 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.368  122.442  354.403 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.612   64.043  173.810 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.09
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 271.999 106.504 139.358

   This TF set has 17 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -21.0  ensemble1
   2     290.3  105.3  224.9     -22.8  ensemble1
   ----- angles below here for deep search only -----
   3      45.4   76.5   44.2     -21.8  ensemble1
   4     133.5   77.1   47.2     -24.4  ensemble1
   5      28.3   86.6   48.0     -18.8  ensemble1
   6     192.4  122.4  354.4     -24.3  ensemble1
   7      29.3   81.5   58.8     -22.5  ensemble1
   8     328.3  161.4  331.4     -30.5  ensemble1
   9     208.3   86.6   48.0     -30.8  ensemble1
   10    253.3   23.6  167.1     -32.6  ensemble1
   11     30.4  107.1   23.3     -26.8  ensemble1
   12    209.5  116.4  247.8     -30.6  ensemble1
   13     18.8  106.0  218.5     -27.7  ensemble1
   14     15.5  144.7   20.9     -28.7  ensemble1
   15    260.6   64.0  173.8     -29.3  ensemble1
   16    306.5  100.2  239.8     -32.4  ensemble1
   17    272.0  106.5  139.4     -66.3  ensemble1

      2 trial orientations in initial search
      15 trial orientations in deep search


   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #28 of 32
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       -230.70   (38.26)

   SET #28 of 32 TRIAL #1 of 2
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.047  0.085  0.988     66.677  5.49
   2      0.037  0.578  0.986     62.289  5.27
   3      0.043  0.583  0.987     61.686  5.24
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #28 of 32 TRIAL #1 of 2
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.037  0.578  0.986    -104.16  5.27   0.0      3     62.289/    62.289
   2      0.470  0.868  0.041    -105.76  4.92  23.0      3     55.248/    55.248
   3      0.047  0.085  0.988    -107.95  5.49  29.2      2     66.677/    66.677
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #28 of 32 TRIAL #2 of 2
   ---------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.754  0.448  0.039     56.401  4.98
   2      0.553  0.850  0.989     51.648  4.74
   3      0.220  0.841  0.933     50.029  4.66
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #28 of 32 TRIAL #2 of 2
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.754  0.448  0.039    -113.86  4.98   0.0      1     56.401/    56.401
   2      0.553  0.850  0.989    -123.16  4.74  31.2      1     51.648/    51.648
   3      0.220  0.841  0.933    -124.60  4.66  27.3      1     50.029/    50.029
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #29 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.65
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.469 105.753 138.304

   This TF set has 4 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     188.3  126.4  342.8     -10.7  ensemble1
   2      36.3   77.2   47.6     -17.6  ensemble1
   3     133.5   77.1   47.2     -18.8  ensemble1
   4     272.5  105.8  138.3     -66.9  ensemble1

      0 trial orientations in initial search
      4 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #30 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.20
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.849 107.337 139.332

   This TF set has 12 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     188.3  126.4  342.8     -20.5  ensemble1
   ----- angles below here for deep search only -----
   2      28.3   86.6   48.0     -28.4  ensemble1
   3      45.4   76.5   44.2     -26.7  ensemble1
   4     133.5   77.1   47.2     -26.8  ensemble1
   5     290.3  105.3  224.9     -27.8  ensemble1
   6     227.8   52.7  171.5     -32.6  ensemble1
   7      30.4  107.1   23.3     -28.3  ensemble1
   8     351.3  157.9  355.2     -32.4  ensemble1
   9     306.5  100.2  239.8     -35.8  ensemble1
   10    253.3   23.6  167.1     -34.1  ensemble1
   11    195.1   76.2  204.7     -34.4  ensemble1
   12    272.8  107.3  139.3     -76.2  ensemble1

      1 trial orientations in initial search
      11 trial orientations in deep search


   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #30 of 32
   0%      100%
   |=======| DONE

   Mean Score (Sigma):       -232.75   (43.76)

   SET #30 of 32 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.036  0.752  0.961     57.496  5.13
   2      0.032  0.906  0.905     55.710  5.04
   3      0.038  0.252  0.959     49.515  4.74
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #30 of 32 TRIAL #1 of 1
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.036  0.752  0.961    -106.23  5.13   0.0      1     57.496/    57.496
   2      0.032  0.906  0.905    -107.71  5.04  10.5      1     55.710/    55.710
   3      0.038  0.252  0.959    -110.19  4.74  29.2      1     49.515/    49.515
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #31 OF 32
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.011   42.976  172.323 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  184.273  134.766  341.965 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.752  125.183  354.037 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.601  105.060  226.246 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.570  126.100  353.960 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  112.690  135.260  354.675 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.648   76.442   43.751 RFZ  2.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.504 107.050 139.307

   This TF set has 35 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1      36.3   77.2   47.6     -21.0  ensemble1
   2     290.3  105.3  224.9     -23.3  ensemble1
   3      28.3   86.6   48.0     -19.6  ensemble1
   4      30.4  107.1   23.3     -25.4  ensemble1
   5     328.3  161.4  331.4     -25.8  ensemble1
   ----- angles below here for deep search only -----
   6      28.1   94.7  230.3     -28.1  ensemble1
   7      17.5  104.9  227.2     -28.2  ensemble1
   8     308.5  103.6  231.9     -31.1  ensemble1
   9     209.5  116.4  247.8     -29.5  ensemble1
   10     60.0   43.0  172.3     -36.3  ensemble1
   11    153.3   77.5   48.8     -34.4  ensemble1
   12    149.0  107.0   23.5     -33.6  ensemble1
   13     91.0   33.1  200.8     -32.1  ensemble1
   14    106.0  105.8  220.9     -33.2  ensemble1
   15    134.3   49.2  171.4     -32.9  ensemble1
   16     83.1   19.1  174.7     -34.5  ensemble1
   17    208.5   58.5   73.5     -33.9  ensemble1
   18     29.0   76.2  204.7     -34.9  ensemble1
   19     40.6   45.6  171.8     -33.9  ensemble1
   20    184.3  134.8  342.0     -33.5  ensemble1
   21     20.8  125.2  354.0     -39.4  ensemble1
   22     37.2  105.2  225.8     -35.9  ensemble1
   23    294.2   95.7  227.0     -34.7  ensemble1
   24    298.6  103.3  232.6     -38.1  ensemble1
   25    211.2  153.0  348.3     -33.7  ensemble1
   26    291.7  163.7  301.3     -39.3  ensemble1
   27    281.7  106.0  216.9     -35.6  ensemble1
   28    270.6  105.1  226.2     -38.4  ensemble1
   29    143.6  126.1  354.0     -38.9  ensemble1
   30    112.7  135.3  354.7     -35.5  ensemble1
   31     27.3  105.0  226.5     -36.4  ensemble1
   32    279.9   18.6  145.3     -34.5  ensemble1
   33    267.8   77.6  207.6     -35.3  ensemble1
   34    142.6   76.4   43.8     -39.9  ensemble1
   35    272.5  107.1  139.3     -71.4  ensemble1

      5 trial orientations in initial search
      30 trial orientations in deep search


   Scoring 525 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #31 of 32
   0%                 100%
   |===================| DONE

   Mean Score (Sigma):       -219.99   (30.85)

   SET #31 of 32 TRIAL #1 of 5
   ---------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 19 sites over 67.5% of top
   19 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.572  0.346  0.045     66.233  5.25
   2      0.567  0.342  0.046     61.354  5.01
   3      0.362  0.742  0.992     57.946  4.84
   #Sites = 19: output truncated to 3 sites

   Top 19 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 32 TRIAL #1 of 5
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.932  0.832  0.213    -101.08  4.58   0.0      1     52.806/    52.806
   2      0.567  0.342  0.046    -106.58  5.01  30.2      2     61.354/    66.233
   3      0.426  0.431  0.265    -106.64  4.66  27.5      1     54.345/    54.345
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #31 of 32 TRIAL #2 of 5
   ---------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.105  0.801  0.936     54.972  4.53
   2      0.377  0.547  0.093     51.871  4.37
   3      0.702  0.199  0.637     50.230  4.29
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 32 TRIAL #2 of 5
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.105  0.801  0.936    -105.36  4.53   0.0      1     54.972/    54.972
   2      0.100  0.300  0.936    -110.97  4.13  29.2      1     47.127/    47.127
   3      0.702  0.199  0.637    -113.48  4.29  17.9      1     50.230/    50.230
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #31 of 32 TRIAL #3 of 5
   ---------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.122  0.871  0.320     61.385  5.01
   2      0.909  0.440  0.660     52.908  4.59
   3      0.189  0.212  0.946     51.884  4.53
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 32 TRIAL #3 of 5
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.122  0.871  0.320    -106.04  5.01   0.0      1     61.385/    61.385
   2      0.189  0.212  0.946    -110.49  4.53  23.7      2     51.884/    51.884
   3      0.099  0.599  0.035    -112.89  4.46  30.8      1     50.441/    50.441
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #31 of 32 TRIAL #4 of 5
   ---------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.198  0.467  0.842     47.727  4.46
   2      0.694  0.924  0.171     47.460  4.45
   3      0.129  0.308  0.188     47.152  4.43
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 32 TRIAL #4 of 5
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.274  0.509  0.001    -121.66  4.33   0.0      1     45.055/    45.055
   2      0.198  0.467  0.842    -125.78  4.46  15.4      1     47.727/    47.727
   3      0.129  0.308  0.188    -127.84  4.43  20.4      1     47.152/    47.152
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #31 of 32 TRIAL #5 of 5
   ---------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.476  0.073     64.507  5.18
   2      0.216  0.673  0.916     62.200  5.06
   3      0.208  0.667  0.916     62.169  5.06
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 32 TRIAL #5 of 5
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.216  0.673  0.916    -104.65  5.06   0.0      2     62.200/    62.200
   2      0.595  0.476  0.073    -113.66  5.18  24.5      1     64.507/    64.507
   3      0.567  0.348  0.937    -121.07  4.45  33.0      1     50.359/    50.359
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #32 OF 32
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=156
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.769  113.902   29.472 RFZ  3.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      2 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.869 107.100 139.581

   This TF set has 8 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     188.3  126.4  342.8      -4.5  ensemble1
   2     133.5   77.1   47.2     -12.1  ensemble1
   3      36.3   77.2   47.6      -7.9  ensemble1
   4     290.3  105.3  224.9      -9.9  ensemble1
   5      29.3   81.5   58.8     -12.9  ensemble1
   6      28.3   86.6   48.0     -10.1  ensemble1
   7      32.8  113.9   29.5     -16.2  ensemble1
   8     272.9  107.1  139.6     -65.2  ensemble1

      0 trial orientations in initial search
      8 trial orientations in deep search

-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

----------------------------------
DEEP TRANSLATION FUNCTION #1 OF 32
----------------------------------

   7 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=178
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.905  107.193  139.219 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #1 of 32
   0%    100%
   |=====| DONE

   Mean Score (Sigma):       -242.42   (51.41)

   SET #1 of 32 TRIAL #2 of 8 (TRIAL #1 of 7 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 11 sites over 67.5% of top
   11 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.643  0.505  0.979     49.651  4.90
   2      0.461  0.001  0.007     49.438  4.89
   3      0.880  0.921  0.939     47.462  4.80
   #Sites = 11: output truncated to 3 sites

   Top 11 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #2 of 8 (TRIAL #1 of 7 deep)
   0%     100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.643  0.505  0.979    -118.60  4.90   0.0      1     49.651/    49.651
   2      0.957  0.012  0.246    -121.85  4.64  32.0      1     44.334/    44.334
   3      0.461  0.001  0.007    -123.01  4.89  26.1      2     49.438/    49.438
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 32 TRIAL #3 of 8 (TRIAL #2 of 7 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.786  0.835  0.956     52.330  4.98
   2      0.855  0.520  0.038     51.031  4.92
   3      0.848  0.514  0.038     49.749  4.86
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #3 of 8 (TRIAL #2 of 7 deep)
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.855  0.520  0.038    -124.57  4.92   0.0      2     51.031/    51.031
   2      0.786  0.835  0.956    -126.33  4.98  22.2      1     52.330/    52.330
   3      0.395  0.237  0.135    -128.89  4.60  22.8      1     44.492/    44.492
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 32 TRIAL #4 of 8 (TRIAL #3 of 7 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.857  0.841  0.970     50.379  4.76
   2      0.854  0.839  0.971     46.714  4.58
   3      0.889  0.476  0.838     44.649  4.47
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #4 of 8 (TRIAL #3 of 7 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.857  0.841  0.970    -119.10  4.76   0.0      2     50.379/    50.379
   2      0.846  0.345  0.972    -132.07  4.47  28.8      1     44.562/    44.562
   3      0.889  0.476  0.838    -135.41  4.47  25.6      1     44.649/    44.649

   SET #1 of 32 TRIAL #5 of 8 (TRIAL #4 of 7 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.816  0.780  0.079     64.010  5.48
   2      0.812  0.277  0.075     63.542  5.45
   3      0.092  0.679  0.277     48.980  4.72
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #5 of 8 (TRIAL #4 of 7 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.816  0.780  0.079    -111.31  5.48   0.0      1     64.010/    64.010
   2      0.812  0.277  0.075    -112.76  5.45  29.3      1     63.542/    63.542
   3      0.745  0.891  0.055    -131.75  4.64   9.6      1     47.555/    47.555
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 32 TRIAL #6 of 8 (TRIAL #5 of 7 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.894  0.359  0.990     43.050  4.75
   2      0.893  0.856  0.992     41.149  4.66

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #6 of 8 (TRIAL #5 of 7 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.893  0.856  0.992    -137.69  4.66   0.0      1     41.149/    41.149
   2      0.894  0.359  0.990    -141.63  4.75  29.1      1     43.050/    43.050

   SET #1 of 32 TRIAL #7 of 8 (TRIAL #6 of 7 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 85.60 (TFZ=6.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.473  0.143  0.117     47.734  4.93
   2      0.256  0.359  0.109     46.934  4.89
   3      0.364  0.317  0.847     46.486  4.87
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #7 of 8 (TRIAL #6 of 7 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.364  0.317  0.847    -123.49  4.87   0.0      1     46.486/    46.486
   2      0.473  0.143  0.117    -128.65  4.93  17.0      1     47.734/    47.734
   3      0.256  0.359  0.109    -129.29  4.89  25.8      1     46.934/    46.934
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #1 of 32 TRIAL #8 of 8 (TRIAL #7 of 7 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 272.90 107.19 139.22 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 368.42 (TFZ=20.1) at Trial #8


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.717  0.396  0.000     368.42 20.09
   2      0.717  0.897  0.000     358.81 19.71
   3      0.221  0.400  0.964     109.10  9.83
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 32 TRIAL #8 of 8 (TRIAL #7 of 7 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.222  0.399  0.965    -104.03  9.24   0.0      3     94.048/   109.098
   2      0.717  0.396  0.000    -121.92 20.09  29.2      1    368.421/   368.421
   3      0.217  0.398  0.034    -122.08  8.96   6.5      1     87.118/    87.118
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #2 OF 32
----------------------------------

   18 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=171
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.779   51.373  171.421 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.088  108.404  140.556 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 513 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #2 of 32
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       -234.06   (35.39)

   SET #2 of 32 TRIAL #2 of 19 (TRIAL #1 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #3 of 19 (TRIAL #2 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  45.43  76.52  44.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #4 of 19 (TRIAL #3 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #5 of 19 (TRIAL #4 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #6 of 19 (TRIAL #5 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #7 of 19 (TRIAL #6 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 227.81  52.70 171.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #8 of 19 (TRIAL #7 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #9 of 19 (TRIAL #8 of 18 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  29.30  81.47  58.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #10 of 19 (TRIAL #9 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #11 of 19 (TRIAL #10 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #12 of 19 (TRIAL #11 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #13 of 19 (TRIAL #12 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #14 of 19 (TRIAL #13 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 208.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #15 of 19 (TRIAL #14 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #16 of 19 (TRIAL #15 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 308.49 103.57 231.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #17 of 19 (TRIAL #16 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  57.78  51.37 171.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #18 of 19 (TRIAL #17 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 32 TRIAL #19 of 19 (TRIAL #18 of 18 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 273.09 108.40 140.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.490  0.499  0.000     357.52 19.75
   2      0.490  0.999  0.000     352.02 19.53
   3      0.492  0.501  1.000     342.85 19.17
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 32 TRIAL #19 of 19 (TRIAL #18 of 18 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.994  0.500  0.965    -106.91  9.22   0.0      2     90.490/    90.490
   2      0.985  0.497  0.034    -112.26  9.28   6.5      2     91.929/    91.929
   3      0.490  0.499  0.000    -125.41 19.75  28.0      2    357.518/   357.518
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #3 OF 32
----------------------------------

   13 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  3.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.131  104.058  136.899 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #3 of 32
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       -231.41   (33.95)

   SET #3 of 32 TRIAL #3 of 15 (TRIAL #1 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #4 of 15 (TRIAL #2 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #5 of 15 (TRIAL #3 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #6 of 15 (TRIAL #4 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #7 of 15 (TRIAL #5 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #8 of 15 (TRIAL #6 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #9 of 15 (TRIAL #7 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #10 of 15 (TRIAL #8 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 176.06 131.36 342.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #11 of 15 (TRIAL #9 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 228.62  51.03 182.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #12 of 15 (TRIAL #10 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #13 of 15 (TRIAL #11 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #14 of 15 (TRIAL #12 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #3 of 32 TRIAL #15 of 15 (TRIAL #13 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 271.13 104.06 136.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.761  0.288  0.000     357.92 19.85
   2      0.759  0.286  0.001     357.90 19.85
   3      0.761  0.788  0.999     349.09 19.50
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 32 TRIAL #15 of 15 (TRIAL #13 of 13 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.255  0.288  0.034    -104.34  9.60   0.0      1     102.51/    102.51
   2      0.261  0.284  0.966    -116.36  8.93   6.5      3      85.74/    106.04
   3      0.759  0.286  0.001    -117.57 19.85  29.1      2     357.90/    357.92
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #4 OF 32
----------------------------------

   13 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=169
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  4.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  259.962   63.416  163.199 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.612   64.043  173.810 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.745  105.945  136.611 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #4 of 32
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       -236.28   (38.44)

   SET #4 of 32 TRIAL #3 of 15 (TRIAL #1 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #4 of 15 (TRIAL #2 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #5 of 15 (TRIAL #3 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #6 of 15 (TRIAL #4 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #7 of 15 (TRIAL #5 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #8 of 15 (TRIAL #6 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  75.80  40.80 208.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #9 of 15 (TRIAL #7 of 13 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #10 of 15 (TRIAL #8 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #11 of 15 (TRIAL #9 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #12 of 15 (TRIAL #10 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #13 of 15 (TRIAL #11 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 259.96  63.42 163.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #14 of 15 (TRIAL #12 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 260.61  64.04 173.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 32 TRIAL #15 of 15 (TRIAL #13 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 270.75 105.94 136.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.773  0.835  0.001     309.69 18.09
   2      0.773  0.335  0.000     303.83 17.85
   3      0.775  0.838  0.001     301.62 17.76
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #4 of 32 TRIAL #15 of 15 (TRIAL #13 of 13 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.265  0.833  0.035    -110.95  9.41   0.0      1     94.582/    94.582
   2      0.281  0.839  0.966    -115.04  9.23   6.5      3     90.334/    90.334
   3      0.773  0.835  0.001    -159.93 18.09  29.1      2    309.690/   309.690
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #5 OF 32
----------------------------------

   31 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.009  111.559  127.378 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.535   65.227   66.623 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.728   16.479  182.851 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  112.690  135.260  354.675 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.104   65.911  153.721 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.601  105.060  226.246 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.246  127.938  353.879 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.894   14.807  147.514 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 533 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #5 of 32
   0%                    100%
   |======================| DONE

   Mean Score (Sigma):       -233.05   (31.37)

   SET #5 of 32 TRIAL #11 of 41 (TRIAL #1 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #12 of 41 (TRIAL #2 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #13 of 41 (TRIAL #3 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 228.62  51.03 182.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #14 of 41 (TRIAL #4 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.49 103.57 231.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #15 of 41 (TRIAL #5 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #16 of 41 (TRIAL #6 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #17 of 41 (TRIAL #7 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #18 of 41 (TRIAL #8 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #19 of 41 (TRIAL #9 of 31 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 292.06  79.33 216.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #20 of 41 (TRIAL #10 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 108.01 111.56 127.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #21 of 41 (TRIAL #11 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #22 of 41 (TRIAL #12 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #23 of 41 (TRIAL #13 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #24 of 41 (TRIAL #14 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #25 of 41 (TRIAL #15 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #26 of 41 (TRIAL #16 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 281.70 106.05 216.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #27 of 41 (TRIAL #17 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  29.54  65.23  66.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #28 of 41 (TRIAL #18 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #29 of 41 (TRIAL #19 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler   8.73  16.48 182.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #30 of 41 (TRIAL #20 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #31 of 41 (TRIAL #21 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 308.21  76.60  44.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #32 of 41 (TRIAL #22 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 112.69 135.26 354.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #33 of 41 (TRIAL #23 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  28.99  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #34 of 41 (TRIAL #24 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #35 of 41 (TRIAL #25 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  37.16 105.15 225.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #36 of 41 (TRIAL #26 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 260.10  65.91 153.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #37 of 41 (TRIAL #27 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 270.60 105.06 226.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #38 of 41 (TRIAL #28 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 294.23  95.74 226.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #39 of 41 (TRIAL #29 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  29.25 127.94 353.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #40 of 41 (TRIAL #30 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 104.89  14.81 147.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 368.42 (TFZ=20.1)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #5 of 32 TRIAL #41 of 41 (TRIAL #31 of 31 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 370.29 (TFZ=19.9) at Trial #41


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.602  0.200  1.000     370.29 19.86
   2      0.602  0.700  0.000     359.36 19.42
   3      0.096  0.200  0.035     116.28  9.72
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 32 TRIAL #41 of 41 (TRIAL #31 of 31 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.101  0.199  0.965    -86.116  9.50   0.0      1     111.02/    111.02
   2      0.096  0.200  0.035    -87.113  9.72   6.5      1     116.28/    116.28
   3      0.602  0.200  1.000   -127.840 19.86  29.5      1     370.29/    370.29
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #6 OF 32
----------------------------------

   29 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.779   51.373  171.421 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.946  109.014  125.881 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.894   14.807  147.514 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.004  106.912  138.421 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 532 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #6 of 32
   0%                   100%
   |====================| DONE

   Mean Score (Sigma):       -212.62   (29.86)

   SET #6 of 32 TRIAL #10 of 38 (TRIAL #1 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 227.81  52.70 171.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #11 of 38 (TRIAL #2 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #12 of 38 (TRIAL #3 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.49 103.57 231.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #13 of 38 (TRIAL #4 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #14 of 38 (TRIAL #5 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #15 of 38 (TRIAL #6 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #16 of 38 (TRIAL #7 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #17 of 38 (TRIAL #8 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #18 of 38 (TRIAL #9 of 29 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #19 of 38 (TRIAL #10 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #20 of 38 (TRIAL #11 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #21 of 38 (TRIAL #12 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #22 of 38 (TRIAL #13 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #23 of 38 (TRIAL #14 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  57.78  51.37 171.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #24 of 38 (TRIAL #15 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 292.06  79.33 216.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #25 of 38 (TRIAL #16 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 308.21  76.60  44.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #26 of 38 (TRIAL #17 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 110.95 109.01 125.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #27 of 38 (TRIAL #18 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #28 of 38 (TRIAL #19 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 104.89  14.81 147.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #29 of 38 (TRIAL #20 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 294.23  95.74 226.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #30 of 38 (TRIAL #21 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #31 of 38 (TRIAL #22 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 298.62 103.34 232.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #32 of 38 (TRIAL #23 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 311.68  93.85 232.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #33 of 38 (TRIAL #24 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  37.16 105.15 225.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #34 of 38 (TRIAL #25 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 281.70 106.05 216.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #35 of 38 (TRIAL #26 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #36 of 38 (TRIAL #27 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 267.80  77.59 207.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #37 of 38 (TRIAL #28 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 370.29 (TFZ=19.9)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #6 of 32 TRIAL #38 of 38 (TRIAL #29 of 29 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 272.00 106.91 138.42 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 378.01 (TFZ=20.3) at Trial #38


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.781  0.000     378.01 20.26
   2      0.758  0.281  0.000     373.14 20.07
   3      0.260  0.781  0.966     125.81 10.34
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 32 TRIAL #38 of 38 (TRIAL #29 of 29 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.261  0.781  0.966    -91.492  9.71   0.0      2     109.78/    125.81
   2      0.252  0.779  0.034    -93.877  9.90   6.5      2     114.72/    114.72
   3      0.757  0.781  0.000   -118.494 20.26  29.3      1     378.01/    378.01
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #7 OF 32
----------------------------------

   35 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.668  106.547   24.069 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.946  109.014  125.881 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  103.735  132.528  354.146 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.839  102.045  253.282 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.028  108.310  140.369 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 516 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #7 of 32
   0%                     100%
   |=======================| DONE

   Mean Score (Sigma):       -225.92   (30.83)

   SET #7 of 32 TRIAL #9 of 43 (TRIAL #1 of 35 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #10 of 43 (TRIAL #2 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #11 of 43 (TRIAL #3 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.49 103.57 231.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #12 of 43 (TRIAL #4 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #13 of 43 (TRIAL #5 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #14 of 43 (TRIAL #6 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #15 of 43 (TRIAL #7 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 144.67 106.55  24.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #16 of 43 (TRIAL #8 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #17 of 43 (TRIAL #9 of 35 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #18 of 43 (TRIAL #10 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 228.62  51.03 182.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #19 of 43 (TRIAL #11 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #20 of 43 (TRIAL #12 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #21 of 43 (TRIAL #13 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #22 of 43 (TRIAL #14 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #23 of 43 (TRIAL #15 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 292.06  79.33 216.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #24 of 43 (TRIAL #16 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #25 of 43 (TRIAL #17 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #26 of 43 (TRIAL #18 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 308.21  76.60  44.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #27 of 43 (TRIAL #19 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 110.95 109.01 125.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #28 of 43 (TRIAL #20 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 294.23  95.74 226.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #29 of 43 (TRIAL #21 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #30 of 43 (TRIAL #22 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  28.99  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #31 of 43 (TRIAL #23 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #32 of 43 (TRIAL #24 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 267.80  77.59 207.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #33 of 43 (TRIAL #25 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 103.74 132.53 354.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #34 of 43 (TRIAL #26 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #35 of 43 (TRIAL #27 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  37.16 105.15 225.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #36 of 43 (TRIAL #28 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #37 of 43 (TRIAL #29 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 298.62 103.34 232.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #38 of 43 (TRIAL #30 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #39 of 43 (TRIAL #31 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 201.84 102.05 253.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #40 of 43 (TRIAL #32 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 281.70 106.05 216.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #41 of 43 (TRIAL #33 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 311.68  93.85 232.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #42 of 43 (TRIAL #34 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  27.32 105.01 226.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 32 TRIAL #43 of 43 (TRIAL #35 of 35 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 273.03 108.31 140.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.450  0.000     367.25 20.06
   2      0.597  0.952  1.000     359.41 19.75
   3      0.595  0.950  1.000     358.44 19.71
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #7 of 32 TRIAL #43 of 43 (TRIAL #35 of 35 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.100  0.452  0.966    -97.677  9.65   0.0      2     105.32/    105.32
   2      0.094  0.452  0.035    -99.955  9.72   6.4      2     107.14/    107.14
   3      0.595  0.450  0.000   -113.299 20.06  29.3      1     367.25/    367.25
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #8 OF 32
----------------------------------

   30 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  114.747  105.038  134.237 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.009  111.559  127.378 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.443  105.195  225.553 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.728   16.479  182.851 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.839   53.636   62.841 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.355  106.693  246.557 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.540  107.143  139.391 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 532 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #8 of 32
   0%                   100%
   |====================| DONE

   Mean Score (Sigma):       -223.76   (29.92)

   SET #8 of 32 TRIAL #9 of 38 (TRIAL #1 of 30 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #10 of 38 (TRIAL #2 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #11 of 38 (TRIAL #3 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #12 of 38 (TRIAL #4 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #13 of 38 (TRIAL #5 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #14 of 38 (TRIAL #6 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #15 of 38 (TRIAL #7 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.21  76.60  44.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #16 of 38 (TRIAL #8 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #17 of 38 (TRIAL #9 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #18 of 38 (TRIAL #10 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #19 of 38 (TRIAL #11 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 267.80  77.59 207.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #20 of 38 (TRIAL #12 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #21 of 38 (TRIAL #13 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #22 of 38 (TRIAL #14 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #23 of 38 (TRIAL #15 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #24 of 38 (TRIAL #16 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #25 of 38 (TRIAL #17 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 114.75 105.04 134.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #26 of 38 (TRIAL #18 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 108.01 111.56 127.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #27 of 38 (TRIAL #19 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  28.99  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #28 of 38 (TRIAL #20 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 358.42 137.27 342.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #29 of 38 (TRIAL #21 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #30 of 38 (TRIAL #22 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #31 of 38 (TRIAL #23 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 280.44 105.19 225.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #32 of 38 (TRIAL #24 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler   8.73  16.48 182.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #33 of 38 (TRIAL #25 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 212.84  53.64  62.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #34 of 38 (TRIAL #26 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 204.36 106.69 246.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #35 of 38 (TRIAL #27 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #36 of 38 (TRIAL #28 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 291.73 163.74 301.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #37 of 38 (TRIAL #29 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 298.62 103.34 232.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #8 of 32 TRIAL #38 of 38 (TRIAL #30 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 272.54 107.14 139.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -81.92 (TFZ=4.3)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.557  0.257  0.000     362.27 19.85
   2      0.557  0.757  1.000     355.21 19.56
   3      0.064  0.261  0.966     119.37 10.09
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 32 TRIAL #38 of 38 (TRIAL #30 of 30 deep)
   0%  100%
   |===| DONE


   New Top (ML) Translation Function LLG = -79.15 (TFZ=4.8) at Trial #38

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.064  0.261  0.966    -79.153 10.09   0.0      1     119.37/    119.37
   2      0.057  0.258  0.034    -89.915  9.97   6.5      1     116.27/    116.27
   3      0.557  0.257  0.000   -131.530 19.85  29.2      1     362.27/    362.27
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


----------------------------------
DEEP TRANSLATION FUNCTION #9 OF 32
----------------------------------

   3 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04  0.77 -0.01 BFAC 
    0.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  221.671   77.884   50.109 RFZ  3.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  183.007   68.119  323.461 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 501 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #9 of 32
   0% 100%
   |===| DONE

   Mean Score (Sigma):       -223.93   (28.44)

   SET #9 of 32 TRIAL #1 of 3 (TRIAL #1 of 3 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #9 of 32 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 221.67  77.88  50.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #9 of 32 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 183.01  68.12 323.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.534  0.764  0.000     323.33 19.58
   2      0.534  0.264  1.000     319.25 19.42
   3      0.033  0.261  0.965      71.34  9.79
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #9 of 32 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.035  0.265  0.035    -133.84  9.58   0.0      1     65.914/    65.914
   2      0.033  0.261  0.965    -135.75  9.79   6.6      1     71.345/    71.345
   3      0.534  0.764  0.000    -163.90 19.58  29.4      1    323.334/   323.334
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #10 OF 32
-----------------------------------

   26 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.905   85.285   42.639 RFZ  3.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   57.779   51.373  171.421 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.502   79.183  213.679 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.246  127.938  353.879 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.812   93.749   34.231 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  204.355  106.693  246.557 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.243  104.508  135.799 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 528 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #10 of 32
   0%                100%
   |==================| DONE

   Mean Score (Sigma):       -240.95   (22.73)

   SET #10 of 32 TRIAL #8 of 33 (TRIAL #1 of 26 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #9 of 33 (TRIAL #2 of 26 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #10 of 33 (TRIAL #3 of 26 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #11 of 33 (TRIAL #4 of 26 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #12 of 33 (TRIAL #5 of 26 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #13 of 33 (TRIAL #6 of 26 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #14 of 33 (TRIAL #7 of 26 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #15 of 33 (TRIAL #8 of 26 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #16 of 33 (TRIAL #9 of 26 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #17 of 33 (TRIAL #10 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  57.78  51.37 171.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #18 of 33 (TRIAL #11 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #19 of 33 (TRIAL #12 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 358.42 137.27 342.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #20 of 33 (TRIAL #13 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  25.50  79.18 213.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #21 of 33 (TRIAL #14 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #22 of 33 (TRIAL #15 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #23 of 33 (TRIAL #16 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 291.73 163.74 301.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #24 of 33 (TRIAL #17 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  27.32 105.01 226.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #25 of 33 (TRIAL #18 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #26 of 33 (TRIAL #19 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #27 of 33 (TRIAL #20 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #28 of 33 (TRIAL #21 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #29 of 33 (TRIAL #22 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  29.25 127.94 353.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #30 of 33 (TRIAL #23 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.81  93.75  34.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #31 of 33 (TRIAL #24 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #32 of 33 (TRIAL #25 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 204.36 106.69 246.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #10 of 32 TRIAL #33 of 33 (TRIAL #26 of 26 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 270.24 104.51 135.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.825  0.515  0.000     355.58 19.74
   2      0.825  0.015  1.000     349.97 19.52
   3      0.828  0.518  1.000     349.37 19.49
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 32 TRIAL #33 of 33 (TRIAL #26 of 26 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.323  0.514  0.034    -95.481  9.63   0.0      1     105.82/    105.82
   2      0.325  0.514  0.966    -96.821  9.46   6.4      2     101.66/    116.40
   3      0.828  0.518  1.000   -117.829 19.49  29.3      2     349.37/    355.58
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #11 OF 32
-----------------------------------

   9 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.418  105.665  138.444 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #11 of 32
   0%    100%
   |======| DONE

   Mean Score (Sigma):       -230.60   (45.43)

   SET #11 of 32 TRIAL #1 of 9 (TRIAL #1 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #2 of 9 (TRIAL #2 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  45.43  76.52  44.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #3 of 9 (TRIAL #3 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #4 of 9 (TRIAL #4 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #5 of 9 (TRIAL #5 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #6 of 9 (TRIAL #6 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #7 of 9 (TRIAL #7 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  75.80  40.80 208.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #8 of 9 (TRIAL #8 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 32 TRIAL #9 of 9 (TRIAL #9 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.42 105.66 138.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.698  0.971  1.000     323.99 18.29
   2      0.698  0.471  0.999     313.41 17.88
   3      0.196  0.971  0.035      95.48  9.32
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #11 of 32 TRIAL #9 of 9 (TRIAL #9 of 9 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.201  0.972  0.965    -108.96  9.17   0.0      2     91.628/    91.628
   2      0.192  0.968  0.034    -109.49  9.30   6.5      2     94.950/    95.477
   3      0.698  0.971  1.000    -163.66 18.29  29.3      1    323.985/   323.985
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #12 OF 32
-----------------------------------

   43 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.011   42.976  172.323 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  184.273  134.766  341.965 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  114.747  105.038  134.237 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.894   14.807  147.514 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER   25.502   79.183  213.679 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.104   65.911  153.721 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.601  105.060  226.246 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.246  127.938  353.879 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.839   53.636   62.841 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   56.681   76.174  204.707 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  259.372   18.186  145.440 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.812   93.749   34.231 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  295.495   77.587  207.555 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.274  129.771  342.303 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  234.347  162.259    7.935 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   63.977   66.970   37.289 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  307.975   86.889  225.531 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   47.380   34.494  196.953 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  201.839  102.045  253.282 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.570  126.100  353.960 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.197  107.070  139.171 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 540 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #12 of 32
   0%                           100%
   |============================| DONE

   Mean Score (Sigma):       -240.93   (28.46)

   SET #12 of 32 TRIAL #12 of 54 (TRIAL #1 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #13 of 54 (TRIAL #2 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #14 of 54 (TRIAL #3 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #15 of 54 (TRIAL #4 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #16 of 54 (TRIAL #5 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #17 of 54 (TRIAL #6 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #18 of 54 (TRIAL #7 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #19 of 54 (TRIAL #8 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  60.01  42.98 172.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #20 of 54 (TRIAL #9 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 184.27 134.77 341.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #21 of 54 (TRIAL #10 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.21  76.60  44.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #22 of 54 (TRIAL #11 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 114.75 105.04 134.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #23 of 54 (TRIAL #12 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 104.89  14.81 147.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #24 of 54 (TRIAL #13 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #25 of 54 (TRIAL #14 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #26 of 54 (TRIAL #15 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #27 of 54 (TRIAL #16 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #28 of 54 (TRIAL #17 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  37.16 105.15 225.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #29 of 54 (TRIAL #18 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #30 of 54 (TRIAL #19 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 294.23  95.74 226.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #31 of 54 (TRIAL #20 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 281.70 106.05 216.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #32 of 54 (TRIAL #21 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  25.50  79.18 213.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #33 of 54 (TRIAL #22 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  27.32 105.01 226.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #34 of 54 (TRIAL #23 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 311.68  93.85 232.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #35 of 54 (TRIAL #24 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 260.10  65.91 153.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #36 of 54 (TRIAL #25 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 270.60 105.06 226.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #37 of 54 (TRIAL #26 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  29.25 127.94 353.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #38 of 54 (TRIAL #27 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 298.62 103.34 232.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #39 of 54 (TRIAL #28 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 212.84  53.64  62.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #40 of 54 (TRIAL #29 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #41 of 54 (TRIAL #30 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  56.68  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #42 of 54 (TRIAL #31 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 267.80  77.59 207.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #43 of 54 (TRIAL #32 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 259.37  18.19 145.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #44 of 54 (TRIAL #33 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.81  93.75  34.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #45 of 54 (TRIAL #34 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 295.49  77.59 207.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #46 of 54 (TRIAL #35 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 196.27 129.77 342.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #47 of 54 (TRIAL #36 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 291.73 163.74 301.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #48 of 54 (TRIAL #37 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 234.35 162.26   7.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #49 of 54 (TRIAL #38 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  63.98  66.97  37.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #50 of 54 (TRIAL #39 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 307.97  86.89 225.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #51 of 54 (TRIAL #40 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  47.38  34.49 196.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #52 of 54 (TRIAL #41 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 201.84 102.05 253.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #53 of 54 (TRIAL #42 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 143.57 126.10 353.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 32 TRIAL #54 of 54 (TRIAL #43 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.20 107.07 139.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.622  0.695  0.000     353.74 19.49
   2      0.622  0.195  0.000     346.38 19.20
   3      0.121  0.695  0.965     118.77 10.10
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 32 TRIAL #54 of 54 (TRIAL #43 of 43 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.124  0.695  0.966    -95.442  9.49   0.0      3     103.52/    118.77
   2      0.125  0.701  0.034    -95.540  9.56   6.5      3     105.40/    106.21
   3      0.622  0.695  0.000   -146.450 19.49  29.4      1     353.74/    353.74
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #13 OF 32
-----------------------------------

   17 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.612   64.043  173.810 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.781   14.343  195.023 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.262  105.870  137.302 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #13 of 32
   0%          100%
   |===========| DONE

   Mean Score (Sigma):       -218.29   (34.22)

   SET #13 of 32 TRIAL #4 of 20 (TRIAL #1 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #5 of 20 (TRIAL #2 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #6 of 20 (TRIAL #3 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #7 of 20 (TRIAL #4 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #8 of 20 (TRIAL #5 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #9 of 20 (TRIAL #6 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 260.61  64.04 173.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #10 of 20 (TRIAL #7 of 17 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 208.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #11 of 20 (TRIAL #8 of 17 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #12 of 20 (TRIAL #9 of 17 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 176.06 131.36 342.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #13 of 20 (TRIAL #10 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 173.78  14.34 195.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #14 of 20 (TRIAL #11 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #15 of 20 (TRIAL #12 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #16 of 20 (TRIAL #13 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #17 of 20 (TRIAL #14 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #18 of 20 (TRIAL #15 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #19 of 20 (TRIAL #16 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 32 TRIAL #20 of 20 (TRIAL #17 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.26 105.87 137.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.653  0.057  1.000     349.91 19.73
   2      0.653  0.557  0.000     341.12 19.38
   3      0.144  0.053  0.034     103.60  9.80
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 32 TRIAL #20 of 20 (TRIAL #17 of 17 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.143  0.052  0.034    -99.886  9.77   0.0      2     102.94/    103.60
   2      0.157  0.058  0.966   -111.203  9.34   6.4      1      92.22/     92.22
   3      0.653  0.057  1.000   -151.149 19.73  29.0      1     349.91/    349.91
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #14 OF 32
-----------------------------------

   20 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=164
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.318   64.131   64.373 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.918   64.669   65.506 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.100  104.004  135.590 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 520 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #14 of 32
   0%             100%
   |==============| DONE

   Mean Score (Sigma):       -222.10   (31.28)

   SET #14 of 32 TRIAL #7 of 26 (TRIAL #1 of 20 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #8 of 26 (TRIAL #2 of 20 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #9 of 26 (TRIAL #3 of 20 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #10 of 26 (TRIAL #4 of 20 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #11 of 26 (TRIAL #5 of 20 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 227.81  52.70 171.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #12 of 26 (TRIAL #6 of 20 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #13 of 26 (TRIAL #7 of 20 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #14 of 26 (TRIAL #8 of 20 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  34.32  64.13  64.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #15 of 26 (TRIAL #9 of 20 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 211.92  64.67  65.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #16 of 26 (TRIAL #10 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #17 of 26 (TRIAL #11 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #18 of 26 (TRIAL #12 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #19 of 26 (TRIAL #13 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #20 of 26 (TRIAL #14 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #21 of 26 (TRIAL #15 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #22 of 26 (TRIAL #16 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 358.42 137.27 342.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #23 of 26 (TRIAL #17 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #24 of 26 (TRIAL #18 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #25 of 26 (TRIAL #19 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 32 TRIAL #26 of 26 (TRIAL #20 of 20 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.10 104.00 135.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.552  0.000     346.95 19.19
   2      0.757  0.052  0.000     342.69 19.02
   3      0.760  0.555  1.000     337.58 18.81
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 32 TRIAL #26 of 26 (TRIAL #20 of 20 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.250  0.551  0.034    -81.041  9.85   0.0      1     116.83/    116.83
   2      0.258  0.553  0.966    -86.231  9.72   6.4      2     113.77/    113.77
   3      0.760  0.555  1.000   -115.665 18.81  29.0      2     337.58/    346.95
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #15 OF 32
-----------------------------------

   15 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.918   64.669   65.506 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.170  106.752  138.850 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 512 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #15 of 32
   0%        100%
   |=========| DONE

   Mean Score (Sigma):       -225.37   (37.81)

   SET #15 of 32 TRIAL #2 of 16 (TRIAL #1 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #3 of 16 (TRIAL #2 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #4 of 16 (TRIAL #3 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #5 of 16 (TRIAL #4 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #6 of 16 (TRIAL #5 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #7 of 16 (TRIAL #6 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #8 of 16 (TRIAL #7 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 208.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #9 of 16 (TRIAL #8 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  75.80  40.80 208.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #10 of 16 (TRIAL #9 of 15 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #11 of 16 (TRIAL #10 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #12 of 16 (TRIAL #11 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #13 of 16 (TRIAL #12 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 211.92  64.67  65.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #14 of 16 (TRIAL #13 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #15 of 16 (TRIAL #14 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 32 TRIAL #16 of 16 (TRIAL #15 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.17 106.75 138.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.654  0.030  1.000     345.06 19.05
   2      0.654  0.530  0.000     342.25 18.94
   3      0.148  0.027  0.035     103.75  9.60
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #15 of 32 TRIAL #16 of 16 (TRIAL #15 of 15 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.148  0.027  0.035    -101.65  9.60   0.0      2     103.75/    103.75
   2      0.156  0.032  0.965    -108.94  9.23   6.6      1      94.46/     94.46
   3      0.654  0.030  1.000    -159.85 19.05  29.2      1     345.06/    345.06
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #16 OF 32
-----------------------------------

   12 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.905   85.285   42.639 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.489  107.147  138.248 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 507 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #16 of 32
   0%      100%
   |========| DONE

   Mean Score (Sigma):       -233.57   (43.23)

   SET #16 of 32 TRIAL #2 of 13 (TRIAL #1 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #3 of 13 (TRIAL #2 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  45.90  85.28  42.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #4 of 13 (TRIAL #3 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #5 of 13 (TRIAL #4 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #6 of 13 (TRIAL #5 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #7 of 13 (TRIAL #6 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #8 of 13 (TRIAL #7 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 208.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #9 of 13 (TRIAL #8 of 12 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #10 of 13 (TRIAL #9 of 12 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #11 of 13 (TRIAL #10 of 12 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #12 of 13 (TRIAL #11 of 12 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 32 TRIAL #13 of 13 (TRIAL #12 of 12 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.49 107.15 138.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.624  0.800  0.000     341.71 19.23
   2      0.623  0.300  0.001     336.83 19.04
   3      0.626  0.803  1.000     333.15 18.89
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #16 of 32 TRIAL #13 of 13 (TRIAL #12 of 12 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.116  0.796  0.035    -102.49  9.74   0.0      2     100.74/    100.74
   2      0.123  0.799  0.965    -109.40  9.32   6.6      2      90.04/     90.04
   3      0.626  0.803  1.000    -151.77 18.89  28.3      2     333.15/    341.71
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #17 OF 32
-----------------------------------

   7 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=163
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.559  106.952  139.372 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #17 of 32
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       -236.73   (54.12)

   SET #17 of 32 TRIAL #1 of 7 (TRIAL #1 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 32 TRIAL #2 of 7 (TRIAL #2 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 32 TRIAL #3 of 7 (TRIAL #3 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 32 TRIAL #4 of 7 (TRIAL #4 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 32 TRIAL #5 of 7 (TRIAL #5 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 32 TRIAL #6 of 7 (TRIAL #6 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 32 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.56 106.95 139.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.504  0.117  0.000     331.00 18.94
   2      0.504  0.617  0.000     325.03 18.71
   3      0.997  0.115  0.035      91.80  9.48
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #17 of 32 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.011  0.122  0.965    -107.42  9.41   0.0      2     90.116/    90.116
   2      0.997  0.115  0.035    -115.49  9.48   6.6      1     91.798/    91.798
   3      0.504  0.117  0.000    -164.75 18.94  29.2      1    331.000/   331.000
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #18 OF 32
-----------------------------------

   15 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=163
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.587  106.562  139.244 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 512 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #18 of 32
   0%        100%
   |=========| DONE

   Mean Score (Sigma):       -236.89   (41.33)

   SET #18 of 32 TRIAL #2 of 16 (TRIAL #1 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #3 of 16 (TRIAL #2 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #4 of 16 (TRIAL #3 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #5 of 16 (TRIAL #4 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #6 of 16 (TRIAL #5 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #7 of 16 (TRIAL #6 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #8 of 16 (TRIAL #7 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #9 of 16 (TRIAL #8 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #10 of 16 (TRIAL #9 of 15 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  29.30  81.47  58.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #11 of 16 (TRIAL #10 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #12 of 16 (TRIAL #11 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #13 of 16 (TRIAL #12 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.49 103.57 231.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #14 of 16 (TRIAL #13 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #15 of 16 (TRIAL #14 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 32 TRIAL #16 of 16 (TRIAL #15 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.59 106.56 139.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.815  0.658  1.000     374.35 20.35
   2      0.815  0.158  0.999     364.10 19.95
   3      0.813  0.656  0.999     363.61 19.93
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #18 of 32 TRIAL #16 of 16 (TRIAL #15 of 15 deep)
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.323  0.659  0.966    -94.396  9.92   0.0      4     111.83/    111.83
   2      0.312  0.658  0.034   -103.768  9.41   6.4      2      99.05/     99.05
   3      0.815  0.658  1.000   -121.343 20.35  29.1      2     374.35/    374.35
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #19 OF 32
-----------------------------------

   30 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.91
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  144.668  106.547   24.069 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  110.946  109.014  125.881 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.679   93.853  232.420 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  358.424  137.267  342.020 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.728   16.479  182.851 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.211   76.595   44.673 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.795  106.998  138.434 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 532 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #19 of 32
   0%                   100%
   |====================| DONE

   Mean Score (Sigma):       -230.12   (31.82)

   SET #19 of 32 TRIAL #9 of 38 (TRIAL #1 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #10 of 38 (TRIAL #2 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #11 of 38 (TRIAL #3 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #12 of 38 (TRIAL #4 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 144.67 106.55  24.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #13 of 38 (TRIAL #5 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #14 of 38 (TRIAL #6 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #15 of 38 (TRIAL #7 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #16 of 38 (TRIAL #8 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #17 of 38 (TRIAL #9 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 110.95 109.01 125.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #18 of 38 (TRIAL #10 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #19 of 38 (TRIAL #11 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #20 of 38 (TRIAL #12 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #21 of 38 (TRIAL #13 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #22 of 38 (TRIAL #14 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #23 of 38 (TRIAL #15 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.99  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #24 of 38 (TRIAL #16 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #25 of 38 (TRIAL #17 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #26 of 38 (TRIAL #18 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 311.68  93.85 232.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #27 of 38 (TRIAL #19 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  27.32 105.01 226.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #28 of 38 (TRIAL #20 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 358.42 137.27 342.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #29 of 38 (TRIAL #21 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #30 of 38 (TRIAL #22 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 281.70 106.05 216.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #31 of 38 (TRIAL #23 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   8.73  16.48 182.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #32 of 38 (TRIAL #24 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  37.16 105.15 225.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #33 of 38 (TRIAL #25 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 294.23  95.74 226.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #34 of 38 (TRIAL #26 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.21  76.60  44.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #35 of 38 (TRIAL #27 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #36 of 38 (TRIAL #28 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 298.62 103.34 232.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #37 of 38 (TRIAL #29 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 267.80  77.59 207.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 32 TRIAL #38 of 38 (TRIAL #30 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.80 107.00 138.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.722  0.089  0.000     361.28 19.89
   2      0.723  0.590  0.000     357.97 19.76
   3      0.220  0.091  0.034     114.24  9.98
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 32 TRIAL #38 of 38 (TRIAL #30 of 30 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.213  0.085  0.034    -86.524  9.74   0.0      2     108.22/    114.24
   2      0.229  0.093  0.966    -90.829  9.70   6.4      1     107.31/    107.31
   3      0.722  0.089  0.000   -125.486 19.89  29.0      1     361.28/    361.28
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #20 OF 32
-----------------------------------

   2 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  180.010   65.395  326.276 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #20 of 32
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -224.65   (32.65)

   SET #20 of 32 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 32 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 180.01  65.39 326.28 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.654  0.255  0.000     313.08 19.55
   2      0.655  0.257  0.000     308.46 19.37
   3      0.654  0.754  0.000     305.21 19.24
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #20 of 32 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.155  0.756  0.964    -131.59 10.13   0.0      2     75.091/    75.091
   2      0.153  0.755  0.035    -137.59  9.57   6.7      2     60.901/    63.325
   3      0.655  0.257  0.000    -152.52 19.37  29.4      2    308.464/   313.080
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #21 OF 32
-----------------------------------

   9 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=162
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29  0.64 -0.01 BFAC 
    0.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  4.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  3.06
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.051  108.466  140.287 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #21 of 32
   0%     100%
   |======| DONE

   Mean Score (Sigma):       -245.00   (22.72)

   SET #21 of 32 TRIAL #2 of 10 (TRIAL #1 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #3 of 10 (TRIAL #2 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #4 of 10 (TRIAL #3 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #5 of 10 (TRIAL #4 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 308.49 103.57 231.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #6 of 10 (TRIAL #5 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #7 of 10 (TRIAL #6 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #8 of 10 (TRIAL #7 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #9 of 10 (TRIAL #8 of 9 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 32 TRIAL #10 of 10 (TRIAL #9 of 9 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 273.05 108.47 140.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.791  0.136  0.000     340.45 19.25
   2      0.793  0.139  1.000     332.84 18.95
   3      0.791  0.636  0.000     331.64 18.91
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #21 of 32 TRIAL #10 of 10 (TRIAL #9 of 9 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.284  0.134  0.035    -103.85  9.74   0.0      1     99.991/    99.991
   2      0.298  0.140  0.965    -107.52  9.39   6.6      2     90.942/    90.942
   3      0.791  0.136  0.000    -144.94 19.25  29.2      2    340.449/   340.449
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #22 OF 32
-----------------------------------

   15 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=161
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.127   44.431  159.227 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.533  105.493  138.336 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #22 of 32
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       -228.17   (36.10)

   SET #22 of 32 TRIAL #3 of 17 (TRIAL #1 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #4 of 17 (TRIAL #2 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #5 of 17 (TRIAL #3 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #6 of 17 (TRIAL #4 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #7 of 17 (TRIAL #5 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #8 of 17 (TRIAL #6 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #9 of 17 (TRIAL #7 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #10 of 17 (TRIAL #8 of 15 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 228.62  51.03 182.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #11 of 17 (TRIAL #9 of 15 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #12 of 17 (TRIAL #10 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #13 of 17 (TRIAL #11 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #14 of 17 (TRIAL #12 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  66.13  44.43 159.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #15 of 17 (TRIAL #13 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #16 of 17 (TRIAL #14 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 32 TRIAL #17 of 17 (TRIAL #15 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.53 105.49 138.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.718  0.581  1.000     367.43 20.27
   2      0.718  0.081  0.000     359.31 19.94
   3      0.212  0.580  0.034     101.77  9.54
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #22 of 32 TRIAL #17 of 17 (TRIAL #15 of 15 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.212  0.580  0.034    -94.371  9.54   0.0      1     101.77/    101.77
   2      0.214  0.574  0.966    -99.215  9.10   6.5      3      90.75/     97.00
   3      0.718  0.581  1.000   -108.351 20.27  29.2      1     367.43/    367.43
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #23 OF 32
-----------------------------------

   13 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.733  105.351  136.910 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #23 of 32
   0%       100%
   |========| DONE

   Mean Score (Sigma):       -229.81   (38.33)

   SET #23 of 32 TRIAL #2 of 14 (TRIAL #1 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #3 of 14 (TRIAL #2 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #4 of 14 (TRIAL #3 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #5 of 14 (TRIAL #4 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #6 of 14 (TRIAL #5 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #7 of 14 (TRIAL #6 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #8 of 14 (TRIAL #7 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  75.80  40.80 208.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #9 of 14 (TRIAL #8 of 13 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #10 of 14 (TRIAL #9 of 13 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #11 of 14 (TRIAL #10 of 13 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #12 of 14 (TRIAL #11 of 13 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 176.06 131.36 342.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #13 of 14 (TRIAL #12 of 13 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 32 TRIAL #14 of 14 (TRIAL #13 of 13 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.73 105.35 136.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.553  0.573  0.001     354.69 19.51
   2      0.553  0.072  1.000     348.41 19.26
   3      0.045  0.573  0.034     109.34  9.80
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #23 of 32 TRIAL #14 of 14 (TRIAL #13 of 13 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.045  0.573  0.034    -91.717  9.80   0.0      2     109.34/    109.34
   2      0.054  0.572  0.966   -120.581  8.62   6.4      1      79.47/     79.47
   3      0.553  0.573  0.001   -125.029 19.51  29.0      1     354.69/    354.69
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #24 OF 32
-----------------------------------

   17 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  3.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.871  107.056  139.178 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #24 of 32
   0%          100%
   |===========| DONE

   Mean Score (Sigma):       -233.97   (35.12)

   SET #24 of 32 TRIAL #4 of 20 (TRIAL #1 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #5 of 20 (TRIAL #2 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.30  81.47  58.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #6 of 20 (TRIAL #3 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #7 of 20 (TRIAL #4 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #8 of 20 (TRIAL #5 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #9 of 20 (TRIAL #6 of 17 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #10 of 20 (TRIAL #7 of 17 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #11 of 20 (TRIAL #8 of 17 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #12 of 20 (TRIAL #9 of 17 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #13 of 20 (TRIAL #10 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #14 of 20 (TRIAL #11 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #15 of 20 (TRIAL #12 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #16 of 20 (TRIAL #13 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #17 of 20 (TRIAL #14 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #18 of 20 (TRIAL #15 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 292.06  79.33 216.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #19 of 20 (TRIAL #16 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 32 TRIAL #20 of 20 (TRIAL #17 of 17 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.87 107.06 139.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.650  0.382  0.000     340.87 18.98
   2      0.650  0.883  0.000     332.67 18.65
   3      0.145  0.379  0.034     111.56  9.88
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #24 of 32 TRIAL #20 of 20 (TRIAL #17 of 17 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.145  0.379  0.034    -86.543  9.88   0.0      1     111.56/    111.56
   2      0.154  0.382  0.966    -91.516  9.54   6.5      2     102.96/    102.96
   3      0.650  0.382  0.000   -142.545 18.98  29.3      1     340.87/    340.87
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #25 OF 32
-----------------------------------

   27 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  3.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   75.800   40.804  208.492 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.368  122.442  354.403 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  176.056  131.358  342.137 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  156.290  136.118    8.484 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.310  157.455  329.235 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.624   51.028  182.890 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.011   42.976  172.323 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.009  111.559  127.378 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.065   79.332  216.843 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.112  107.090  139.427 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 527 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #25 of 32
   0%               100%
   |=================| DONE

   Mean Score (Sigma):       -227.24   (32.19)

   SET #25 of 32 TRIAL #5 of 31 (TRIAL #1 of 27 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #6 of 31 (TRIAL #2 of 27 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #7 of 31 (TRIAL #3 of 27 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #8 of 31 (TRIAL #4 of 27 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #9 of 31 (TRIAL #5 of 27 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #10 of 31 (TRIAL #6 of 27 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  75.80  40.80 208.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #11 of 31 (TRIAL #7 of 27 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 192.37 122.44 354.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #12 of 31 (TRIAL #8 of 27 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #13 of 31 (TRIAL #9 of 27 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #14 of 31 (TRIAL #10 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 176.06 131.36 342.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #15 of 31 (TRIAL #11 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #16 of 31 (TRIAL #12 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 156.29 136.12   8.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #17 of 31 (TRIAL #13 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #18 of 31 (TRIAL #14 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #19 of 31 (TRIAL #15 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 158.31 157.45 329.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #20 of 31 (TRIAL #16 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #21 of 31 (TRIAL #17 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #22 of 31 (TRIAL #18 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 228.62  51.03 182.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #23 of 31 (TRIAL #19 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #24 of 31 (TRIAL #20 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #25 of 31 (TRIAL #21 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  60.01  42.98 172.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #26 of 31 (TRIAL #22 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 108.01 111.56 127.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #27 of 31 (TRIAL #23 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 292.06  79.33 216.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #28 of 31 (TRIAL #24 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #29 of 31 (TRIAL #25 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #30 of 31 (TRIAL #26 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 32 TRIAL #31 of 31 (TRIAL #27 of 27 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.11 107.09 139.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -79.15 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.502  0.304  1.000     338.72 19.05
   2      0.500  0.803  1.000     325.88 18.54
   3      0.999  0.304  0.035     117.67 10.29
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #25 of 32 TRIAL #31 of 31 (TRIAL #27 of 27 deep)
   0%  100%
   |====| DONE


   New Top (ML) Translation Function LLG = -77.64 (TFZ=4.6) at Trial #31

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.007  0.305  0.965    -77.639 10.24   0.0      1     116.52/    116.52
   2      0.999  0.304  0.035    -85.318 10.29   6.6      2     117.67/    117.67
   3      0.502  0.304  1.000   -149.734 19.05  29.2      1     338.72/    338.72
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #26 OF 32
-----------------------------------

   8 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.368  122.442  354.403 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.697  107.153  139.517 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #26 of 32
   0%    100%
   |=====| DONE

   Mean Score (Sigma):       -231.31   (51.01)

   SET #26 of 32 TRIAL #1 of 8 (TRIAL #1 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 32 TRIAL #2 of 8 (TRIAL #2 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 32 TRIAL #3 of 8 (TRIAL #3 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 32 TRIAL #4 of 8 (TRIAL #4 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  45.43  76.52  44.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 32 TRIAL #5 of 8 (TRIAL #5 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 192.37 122.44 354.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 32 TRIAL #6 of 8 (TRIAL #6 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 32 TRIAL #7 of 8 (TRIAL #7 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 32 TRIAL #8 of 8 (TRIAL #8 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.70 107.15 139.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.583  0.414  0.000     329.64 19.05
   2      0.583  0.914  1.000     324.10 18.83
   3      0.089  0.418  0.964     103.89 10.06
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #26 of 32 TRIAL #8 of 8 (TRIAL #8 of 8 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.093  0.418  0.966    -109.10  9.53   0.0      3     90.822/   103.895
   2      0.077  0.412  0.035    -111.66  9.76   6.5      1     96.409/    96.409
   3      0.583  0.414  0.000    -167.10 19.05  29.0      1    329.644/   329.644
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #27 OF 32
-----------------------------------

   7 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.636  108.779  140.081 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #27 of 32
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       -242.30   (51.45)

   SET #27 of 32 TRIAL #1 of 7 (TRIAL #1 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 32 TRIAL #2 of 7 (TRIAL #2 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 32 TRIAL #3 of 7 (TRIAL #3 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  29.30  81.47  58.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 32 TRIAL #4 of 7 (TRIAL #4 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 32 TRIAL #5 of 7 (TRIAL #5 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 32 TRIAL #6 of 7 (TRIAL #6 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 32 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 273.64 108.78 140.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.679  0.933  1.000     333.69 19.05
   2      0.678  0.433  1.000     324.26 18.68
   3      0.174  0.932  0.034      88.23  9.47
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #27 of 32 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.172  0.930  0.035    -109.72  9.43   0.0      2     87.224/    88.225
   2      0.184  0.936  0.967    -117.64  9.23   6.4      1     82.196/    82.196
   3      0.679  0.933  1.000    -147.10 19.05  29.2      1    333.688/   333.688
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #28 OF 32
-----------------------------------

   15 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.368  122.442  354.403 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.341   86.563   48.015 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.767  106.003  218.522 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.534  144.723   20.945 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  260.612   64.043  173.810 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.999  106.504  139.358 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #28 of 32
   0%        100%
   |==========| DONE

   Mean Score (Sigma):       -233.07   (34.69)

   SET #28 of 32 TRIAL #3 of 17 (TRIAL #1 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  45.43  76.52  44.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #4 of 17 (TRIAL #2 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #5 of 17 (TRIAL #3 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #6 of 17 (TRIAL #4 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 192.37 122.44 354.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #7 of 17 (TRIAL #5 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.30  81.47  58.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #8 of 17 (TRIAL #6 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 328.30 161.40 331.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #9 of 17 (TRIAL #7 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 208.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #10 of 17 (TRIAL #8 of 15 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #11 of 17 (TRIAL #9 of 15 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #12 of 17 (TRIAL #10 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #13 of 17 (TRIAL #11 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  18.77 106.00 218.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #14 of 17 (TRIAL #12 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  15.53 144.72  20.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #15 of 17 (TRIAL #13 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 260.61  64.04 173.81 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #16 of 17 (TRIAL #14 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 32 TRIAL #17 of 17 (TRIAL #15 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.00 106.50 139.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.588  0.857  1.000     326.88 18.56
   2      0.588  0.357  1.000     320.54 18.31
   3      0.077  0.854  0.034     116.92 10.25
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #28 of 32 TRIAL #17 of 17 (TRIAL #15 of 15 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.077  0.854  0.034    -85.813 10.25   0.0      2     116.92/    116.92
   2      0.093  0.859  0.965    -95.260  9.62   6.6      1     101.06/    101.06
   3      0.588  0.857  1.000   -165.876 18.56  29.0      1     326.88/    326.88
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #29 OF 32
-----------------------------------

   4 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.469  105.753  138.304 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #29 of 32
   0%  100%
   |===| DONE

   Mean Score (Sigma):       -251.90   (62.56)

   SET #29 of 32 TRIAL #1 of 4 (TRIAL #1 of 4 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #29 of 32 TRIAL #2 of 4 (TRIAL #2 of 4 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #29 of 32 TRIAL #3 of 4 (TRIAL #3 of 4 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #29 of 32 TRIAL #4 of 4 (TRIAL #4 of 4 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.47 105.75 138.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.634  0.567  1.000     320.52 18.58
   2      0.635  0.067  0.000     315.42 18.38
   3      0.125  0.566  0.034      99.83  9.76
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #29 of 32 TRIAL #4 of 4 (TRIAL #4 of 4 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.125  0.566  0.034    -103.37  9.76   0.0      2     99.828/    99.828
   2      0.140  0.569  0.966    -125.22  8.72   6.5      2     73.825/    76.377
   3      0.634  0.567  1.000    -161.87 18.58  28.9      1    320.523/   320.523
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #30 OF 32
-----------------------------------

   11 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   45.429   76.517   44.213 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  227.814   52.704  171.485 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  351.323  157.898  355.167 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.517  100.213  239.787 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  253.256   23.591  167.137 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER  195.142   76.174  204.707 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.849  107.337  139.332 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #30 of 32
   0%      100%
   |=======| DONE

   Mean Score (Sigma):       -241.18   (44.96)

   SET #30 of 32 TRIAL #2 of 12 (TRIAL #1 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #3 of 12 (TRIAL #2 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  45.43  76.52  44.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #4 of 12 (TRIAL #3 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #5 of 12 (TRIAL #4 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #6 of 12 (TRIAL #5 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 227.81  52.70 171.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #7 of 12 (TRIAL #6 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  30.38 107.12  23.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #8 of 12 (TRIAL #7 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 351.32 157.90 355.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #9 of 12 (TRIAL #8 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 306.52 100.21 239.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #10 of 12 (TRIAL #9 of 11 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 253.26  23.59 167.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #11 of 12 (TRIAL #10 of 11 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 195.14  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 32 TRIAL #12 of 12 (TRIAL #11 of 11 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.85 107.34 139.33 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.506  0.747  0.001     347.24 19.47
   2      0.505  0.247  1.000     337.61 19.09
   3      0.998  0.746  0.034     106.22  9.98
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #30 of 32 TRIAL #12 of 12 (TRIAL #11 of 11 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.998  0.746  0.034    -93.462  9.98   0.0      1     106.22/    106.22
   2      0.014  0.753  0.965   -103.558  9.41   6.5      3      91.83/    105.93
   3      0.506  0.747  0.001   -144.931 19.47  29.1      1     347.24/    347.24
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #31 OF 32
-----------------------------------

   30 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.377  107.120   23.306 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.296  161.399  331.376 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.069   94.669  230.350 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   17.475  104.865  227.165 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.486  103.566  231.905 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.509  116.363  247.819 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.011   42.976  172.323 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  153.291   77.504   48.768 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  148.950  106.974   23.494 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER   90.969   33.109  200.824 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.006  105.844  220.881 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  134.317   49.153  171.429 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   83.057   19.133  174.682 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.536   58.464   73.452 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.988   76.174  204.707 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   40.557   45.611  171.767 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  184.273  134.766  341.965 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.752  125.183  354.037 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.162  105.151  225.784 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  294.228   95.743  226.951 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.618  103.343  232.569 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  211.221  152.964  348.349 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  291.731  163.744  301.294 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  281.695  106.048  216.867 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.601  105.060  226.246 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.570  126.100  353.960 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  112.690  135.260  354.675 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.320  105.013  226.476 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  279.882   18.640  145.252 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.802   77.587  207.555 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  142.648   76.442   43.751 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.504  107.050  139.307 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 525 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #31 of 32
   0%                 100%
   |===================| DONE

   Mean Score (Sigma):       -234.75   (30.03)

   SET #31 of 32 TRIAL #6 of 35 (TRIAL #1 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  28.07  94.67 230.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #7 of 35 (TRIAL #2 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  17.48 104.86 227.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #8 of 35 (TRIAL #3 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.49 103.57 231.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #9 of 35 (TRIAL #4 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.51 116.36 247.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #10 of 35 (TRIAL #5 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  60.01  42.98 172.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #11 of 35 (TRIAL #6 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 153.29  77.50  48.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #12 of 35 (TRIAL #7 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 148.95 106.97  23.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #13 of 35 (TRIAL #8 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  90.97  33.11 200.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #14 of 35 (TRIAL #9 of 30 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 106.01 105.84 220.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #15 of 35 (TRIAL #10 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 134.32  49.15 171.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #16 of 35 (TRIAL #11 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  83.06  19.13 174.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #17 of 35 (TRIAL #12 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 208.54  58.46  73.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #18 of 35 (TRIAL #13 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.99  76.17 204.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #19 of 35 (TRIAL #14 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  40.56  45.61 171.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #20 of 35 (TRIAL #15 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 184.27 134.77 341.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #21 of 35 (TRIAL #16 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  20.75 125.18 354.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #22 of 35 (TRIAL #17 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  37.16 105.15 225.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #23 of 35 (TRIAL #18 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 294.23  95.74 226.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #24 of 35 (TRIAL #19 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 298.62 103.34 232.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #25 of 35 (TRIAL #20 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 211.22 152.96 348.35 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #26 of 35 (TRIAL #21 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 291.73 163.74 301.29 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #27 of 35 (TRIAL #22 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 281.70 106.05 216.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #28 of 35 (TRIAL #23 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 270.60 105.06 226.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #29 of 35 (TRIAL #24 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 143.57 126.10 353.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #30 of 35 (TRIAL #25 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 112.69 135.26 354.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #31 of 35 (TRIAL #26 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  27.32 105.01 226.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #32 of 35 (TRIAL #27 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 279.88  18.64 145.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #33 of 35 (TRIAL #28 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 267.80  77.59 207.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #34 of 35 (TRIAL #29 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 142.65  76.44  43.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 32 TRIAL #35 of 35 (TRIAL #30 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.50 107.05 139.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.504  0.600  1.000     338.24 18.95
   2      0.504  0.100  1.000     333.19 18.75
   3      0.001  0.602  0.035     102.89  9.50
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 32 TRIAL #35 of 35 (TRIAL #30 of 30 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.001  0.602  0.035    -98.879  9.50   0.0      1     102.89/    102.89
   2      0.010  0.602  0.966   -102.927  9.00   6.5      2      90.37/     96.10
   3      0.504  0.600  1.000   -153.340 18.95  29.2      1     338.24/    338.24
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-----------------------------------
DEEP TRANSLATION FUNCTION #32 OF 32
-----------------------------------

   8 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=156
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.260  126.385  342.821 RFZ  4.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  133.527   77.108   47.187 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   36.315   77.216   47.641 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.282  105.320  224.858 RFZ  3.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.302   81.465   58.849 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.341   86.563   48.015 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.769  113.902   29.472 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.869  107.100  139.581 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #32 of 32
   0%    100%
   |=====| DONE

   Mean Score (Sigma):       -222.76   (50.24)

   SET #32 of 32 TRIAL #1 of 8 (TRIAL #1 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 188.26 126.39 342.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 32 TRIAL #2 of 8 (TRIAL #2 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 133.53  77.11  47.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 32 TRIAL #3 of 8 (TRIAL #3 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  36.32  77.22  47.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 32 TRIAL #4 of 8 (TRIAL #4 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 290.28 105.32 224.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 32 TRIAL #5 of 8 (TRIAL #5 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  29.30  81.47  58.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 32 TRIAL #6 of 8 (TRIAL #6 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  28.34  86.56  48.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 32 TRIAL #7 of 8 (TRIAL #7 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  32.77 113.90  29.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 32 TRIAL #8 of 8 (TRIAL #8 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.87 107.10 139.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 378.01 (TFZ=20.3)
   Current Top (ML) Translation Function LLG = -77.64 (TFZ=4.6)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.596  0.142  1.000     317.31 18.26
   2      0.595  0.140  0.999     313.07 18.10
   3      0.596  0.641  1.000     307.45 17.88
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #32 of 32 TRIAL #8 of 8 (TRIAL #8 of 8 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.102  0.142  0.965    -115.34  9.00   0.0      2     80.931/    97.372
   2      0.090  0.138  0.034    -117.34  9.21   6.5      2     86.124/    89.659
   3      0.596  0.142  1.000    -169.63 18.26  29.2      2    317.307/   317.307
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) Ensemble SpaceGroup 
     1   1     -120.1  4.51     -121.7  4.23     -124.0  4.60 ensemble P 31       
     1   2*    -118.6  4.90     -121.8  4.64     -123.0  4.89 ensemble P 31       
     1   3*    -124.6  4.92     -126.3  4.98     -128.9  4.60 ensemble P 31       
     1   4*    -119.1  4.76     -132.1  4.47     -135.4  4.47 ensemble P 31       
     1   5*    -111.3  5.48     -112.8  5.45     -131.8  4.64 ensemble P 31       
     1   6*    -137.7  4.66     -141.6  4.75          -     - ensemble P 31       
     1   7*    -123.5  4.87     -128.7  4.93     -129.3  4.89 ensemble P 31       
     1   8*    -104.0  9.24     -121.9 20.09     -122.1  8.96 ensemble P 31       
   --- ---
     2   1     -117.7  4.75     -119.7  4.58     -125.2  4.32 ensemble P 31       
     2   2*         -     -          -     -          -     - ensemble P 31       
     2   3*         -     -          -     -          -     - ensemble P 31       
     2   4*         -     -          -     -          -     - ensemble P 31       
     2   5*         -     -          -     -          -     - ensemble P 31       
     2   6*         -     -          -     -          -     - ensemble P 31       
     2   7*         -     -          -     -          -     - ensemble P 31       
     2   8*         -     -          -     -          -     - ensemble P 31       
     2   9*         -     -          -     -          -     - ensemble P 31       
     2  10*         -     -          -     -          -     - ensemble P 31       
     2  11*         -     -          -     -          -     - ensemble P 31       
     2  12*         -     -          -     -          -     - ensemble P 31       
     2  13*         -     -          -     -          -     - ensemble P 31       
     2  14*         -     -          -     -          -     - ensemble P 31       
     2  15*         -     -          -     -          -     - ensemble P 31       
     2  16*         -     -          -     -          -     - ensemble P 31       
     2  17*         -     -          -     -          -     - ensemble P 31       
     2  18*         -     -          -     -          -     - ensemble P 31       
     2  19*    -106.9  9.22     -112.3  9.28     -125.4 19.75 ensemble P 31       
   --- ---
     3   1     -124.1  4.70     -125.1  4.15     -125.9  4.08 ensemble P 32       
     3   2     -120.8  4.97     -125.2  4.42     -125.9  4.06 ensemble P 32       
     3   3*         -     -          -     -          -     - ensemble P 32       
     3   4*         -     -          -     -          -     - ensemble P 32       
     3   5*         -     -          -     -          -     - ensemble P 32       
     3   6*         -     -          -     -          -     - ensemble P 32       
     3   7*         -     -          -     -          -     - ensemble P 32       
     3   8*         -     -          -     -          -     - ensemble P 32       
     3   9*         -     -          -     -          -     - ensemble P 32       
     3  10*         -     -          -     -          -     - ensemble P 32       
     3  11*         -     -          -     -          -     - ensemble P 32       
     3  12*         -     -          -     -          -     - ensemble P 32       
     3  13*         -     -          -     -          -     - ensemble P 32       
     3  14*         -     -          -     -          -     - ensemble P 32       
     3  15*    -104.3  9.60     -116.4  8.93     -117.6 19.85 ensemble P 32       
   --- ---
     4   1     -113.1  4.59     -114.6  4.84     -116.6  4.45 ensemble P 31       
     4   2     -106.4  5.11     -116.2  4.05     -120.8  4.84 ensemble P 31       
     4   3*         -     -          -     -          -     - ensemble P 31       
     4   4*         -     -          -     -          -     - ensemble P 31       
     4   5*         -     -          -     -          -     - ensemble P 31       
     4   6*         -     -          -     -          -     - ensemble P 31       
     4   7*         -     -          -     -          -     - ensemble P 31       
     4   8*         -     -          -     -          -     - ensemble P 31       
     4   9*         -     -          -     -          -     - ensemble P 31       
     4  10*         -     -          -     -          -     - ensemble P 31       
     4  11*         -     -          -     -          -     - ensemble P 31       
     4  12*         -     -          -     -          -     - ensemble P 31       
     4  13*         -     -          -     -          -     - ensemble P 31       
     4  14*         -     -          -     -          -     - ensemble P 31       
     4  15*    -110.9  9.41     -115.0  9.23     -159.9 18.09 ensemble P 31       
   --- ---
     5   1      -94.6  4.50     -106.2  4.26     -109.8  3.62 ensemble P 31       
     5   2      -91.6  5.56     -100.4  4.68     -102.0  4.51 ensemble P 31       
     5   3     -101.6  4.85     -103.5  4.83     -106.3  4.52 ensemble P 31       
     5   4      -89.8  5.22      -95.4  4.79     -100.2  5.62 ensemble P 31       
     5   5     -101.1  4.61     -103.5  4.37     -106.4  4.15 ensemble P 31       
     5   6      -84.6  5.35      -87.7  5.17      -97.1  5.04 ensemble P 31       
     5   7      -81.9  5.36      -92.1  5.56     -102.0  5.03 ensemble P 31       
     5   8     -105.5  4.74     -111.2  4.34     -113.0  4.43 ensemble P 31       
     5   9      -92.4  5.40     -108.7  4.23     -111.1  4.07 ensemble P 31       
     5  10      -98.4  5.18     -101.5  5.08     -102.6  4.72 ensemble P 31       
     5  11*         -     -          -     -          -     - ensemble P 31       
     5  12*         -     -          -     -          -     - ensemble P 31       
     5  13*         -     -          -     -          -     - ensemble P 31       
     5  14*         -     -          -     -          -     - ensemble P 31       
     5  15*         -     -          -     -          -     - ensemble P 31       
     5  16*         -     -          -     -          -     - ensemble P 31       
     5  17*         -     -          -     -          -     - ensemble P 31       
     5  18*         -     -          -     -          -     - ensemble P 31       
     5  19*         -     -          -     -          -     - ensemble P 31       
     5  20*         -     -          -     -          -     - ensemble P 31       
     5  21*         -     -          -     -          -     - ensemble P 31       
     5  22*         -     -          -     -          -     - ensemble P 31       
     5  23*         -     -          -     -          -     - ensemble P 31       
     5  24*         -     -          -     -          -     - ensemble P 31       
     5  25*         -     -          -     -          -     - ensemble P 31       
     5  26*         -     -          -     -          -     - ensemble P 31       
     5  27*         -     -          -     -          -     - ensemble P 31       
     5  28*         -     -          -     -          -     - ensemble P 31       
     5  29*         -     -          -     -          -     - ensemble P 31       
     5  30*         -     -          -     -          -     - ensemble P 31       
     5  31*         -     -          -     -          -     - ensemble P 31       
     5  32*         -     -          -     -          -     - ensemble P 31       
     5  33*         -     -          -     -          -     - ensemble P 31       
     5  34*         -     -          -     -          -     - ensemble P 31       
     5  35*         -     -          -     -          -     - ensemble P 31       
     5  36*         -     -          -     -          -     - ensemble P 31       
     5  37*         -     -          -     -          -     - ensemble P 31       
     5  38*         -     -          -     -          -     - ensemble P 31       
     5  39*         -     -          -     -          -     - ensemble P 31       
     5  40*         -     -          -     -          -     - ensemble P 31       
     5  41*     -86.1  9.50      -87.1  9.72     -127.8 19.86 ensemble P 31       
   --- ---
     6   1     -108.9  4.08     -110.3  4.86     -111.8  4.48 ensemble P 32       
     6   2     -111.7  5.60     -119.7  4.73     -122.5  4.20 ensemble P 32       
     6   3     -112.8  4.42     -115.2  4.90     -116.9  4.92 ensemble P 32       
     6   4     -110.6  5.96     -113.4  4.60     -115.2  4.53 ensemble P 32       
     6   5     -104.4  5.00     -110.1  4.69     -122.5  4.17 ensemble P 32       
     6   6      -98.2  5.33     -107.5  5.07     -112.2  4.47 ensemble P 32       
     6   7     -111.4  4.40     -113.0  5.02     -115.7  4.74 ensemble P 32       
     6   8     -119.4  4.36     -124.8  4.30     -129.3  4.30 ensemble P 32       
     6   9     -125.0  4.49     -125.0  4.81     -126.9  4.22 ensemble P 32       
     6  10*         -     -          -     -          -     - ensemble P 32       
     6  11*         -     -          -     -          -     - ensemble P 32       
     6  12*         -     -          -     -          -     - ensemble P 32       
     6  13*         -     -          -     -          -     - ensemble P 32       
     6  14*         -     -          -     -          -     - ensemble P 32       
     6  15*         -     -          -     -          -     - ensemble P 32       
     6  16*         -     -          -     -          -     - ensemble P 32       
     6  17*         -     -          -     -          -     - ensemble P 32       
     6  18*         -     -          -     -          -     - ensemble P 32       
     6  19*         -     -          -     -          -     - ensemble P 32       
     6  20*         -     -          -     -          -     - ensemble P 32       
     6  21*         -     -          -     -          -     - ensemble P 32       
     6  22*         -     -          -     -          -     - ensemble P 32       
     6  23*         -     -          -     -          -     - ensemble P 32       
     6  24*         -     -          -     -          -     - ensemble P 32       
     6  25*         -     -          -     -          -     - ensemble P 32       
     6  26*         -     -          -     -          -     - ensemble P 32       
     6  27*         -     -          -     -          -     - ensemble P 32       
     6  28*         -     -          -     -          -     - ensemble P 32       
     6  29*         -     -          -     -          -     - ensemble P 32       
     6  30*         -     -          -     -          -     - ensemble P 32       
     6  31*         -     -          -     -          -     - ensemble P 32       
     6  32*         -     -          -     -          -     - ensemble P 32       
     6  33*         -     -          -     -          -     - ensemble P 32       
     6  34*         -     -          -     -          -     - ensemble P 32       
     6  35*         -     -          -     -          -     - ensemble P 32       
     6  36*         -     -          -     -          -     - ensemble P 32       
     6  37*         -     -          -     -          -     - ensemble P 32       
     6  38*     -91.5  9.71      -93.9  9.90     -118.5 20.26 ensemble P 32       
   --- ---
     7   1     -111.6  4.66     -114.0  4.18     -114.9  4.28 ensemble P 32       
     7   2     -100.9  5.54     -101.0  5.73     -114.4  4.72 ensemble P 32       
     7   3     -113.2  4.48     -113.5  4.70     -116.7  4.77 ensemble P 32       
     7   4     -106.0  4.42     -106.8  5.15     -106.8  5.16 ensemble P 32       
     7   5     -113.8  4.33     -115.8  4.39     -116.2  4.45 ensemble P 32       
     7   6     -104.6  4.93     -111.1  4.57     -116.9  4.75 ensemble P 32       
     7   7     -105.9  4.86     -108.3  5.05     -117.1  5.09 ensemble P 32       
     7   8      -95.1  5.50      -99.9  5.30     -101.6  5.25 ensemble P 32       
     7   9*         -     -          -     -          -     - ensemble P 32       
     7  10*         -     -          -     -          -     - ensemble P 32       
     7  11*         -     -          -     -          -     - ensemble P 32       
     7  12*         -     -          -     -          -     - ensemble P 32       
     7  13*         -     -          -     -          -     - ensemble P 32       
     7  14*         -     -          -     -          -     - ensemble P 32       
     7  15*         -     -          -     -          -     - ensemble P 32       
     7  16*         -     -          -     -          -     - ensemble P 32       
     7  17*         -     -          -     -          -     - ensemble P 32       
     7  18*         -     -          -     -          -     - ensemble P 32       
     7  19*         -     -          -     -          -     - ensemble P 32       
     7  20*         -     -          -     -          -     - ensemble P 32       
     7  21*         -     -          -     -          -     - ensemble P 32       
     7  22*         -     -          -     -          -     - ensemble P 32       
     7  23*         -     -          -     -          -     - ensemble P 32       
     7  24*         -     -          -     -          -     - ensemble P 32       
     7  25*         -     -          -     -          -     - ensemble P 32       
     7  26*         -     -          -     -          -     - ensemble P 32       
     7  27*         -     -          -     -          -     - ensemble P 32       
     7  28*         -     -          -     -          -     - ensemble P 32       
     7  29*         -     -          -     -          -     - ensemble P 32       
     7  30*         -     -          -     -          -     - ensemble P 32       
     7  31*         -     -          -     -          -     - ensemble P 32       
     7  32*         -     -          -     -          -     - ensemble P 32       
     7  33*         -     -          -     -          -     - ensemble P 32       
     7  34*         -     -          -     -          -     - ensemble P 32       
     7  35*         -     -          -     -          -     - ensemble P 32       
     7  36*         -     -          -     -          -     - ensemble P 32       
     7  37*         -     -          -     -          -     - ensemble P 32       
     7  38*         -     -          -     -          -     - ensemble P 32       
     7  39*         -     -          -     -          -     - ensemble P 32       
     7  40*         -     -          -     -          -     - ensemble P 32       
     7  41*         -     -          -     -          -     - ensemble P 32       
     7  42*         -     -          -     -          -     - ensemble P 32       
     7  43*     -97.7  9.65     -100.0  9.72     -113.3 20.06 ensemble P 32       
   --- ---
     8   1      -98.4  4.88     -103.7  4.82     -104.7  4.38 ensemble P 32       
     8   2     -105.7  5.10     -107.5  4.92     -111.8  4.68 ensemble P 32       
     8   3     -107.9  4.45     -109.2  4.34     -110.5  4.45 ensemble P 32       
     8   4     -111.8  4.23     -112.0  4.33     -112.6  4.48 ensemble P 32       
     8   5     -107.1  4.77     -117.2  4.06     -120.7  4.43 ensemble P 32       
     8   6      -96.7  5.39     -115.7  4.81     -116.0  4.28 ensemble P 32       
     8   7      -87.5  6.26     -100.7  4.94     -107.3  4.64 ensemble P 32       
     8   8     -105.9  5.23     -109.4  4.80     -115.4  4.56 ensemble P 32       
     8   9*         -     -          -     -          -     - ensemble P 32       
     8  10*         -     -          -     -          -     - ensemble P 32       
     8  11*         -     -          -     -          -     - ensemble P 32       
     8  12*         -     -          -     -          -     - ensemble P 32       
     8  13*         -     -          -     -          -     - ensemble P 32       
     8  14*         -     -          -     -          -     - ensemble P 32       
     8  15*         -     -          -     -          -     - ensemble P 32       
     8  16*         -     -          -     -          -     - ensemble P 32       
     8  17*         -     -          -     -          -     - ensemble P 32       
     8  18*         -     -          -     -          -     - ensemble P 32       
     8  19*         -     -          -     -          -     - ensemble P 32       
     8  20*         -     -          -     -          -     - ensemble P 32       
     8  21*         -     -          -     -          -     - ensemble P 32       
     8  22*         -     -          -     -          -     - ensemble P 32       
     8  23*         -     -          -     -          -     - ensemble P 32       
     8  24*         -     -          -     -          -     - ensemble P 32       
     8  25*         -     -          -     -          -     - ensemble P 32       
     8  26*         -     -          -     -          -     - ensemble P 32       
     8  27*         -     -          -     -          -     - ensemble P 32       
     8  28*         -     -          -     -          -     - ensemble P 32       
     8  29*         -     -          -     -          -     - ensemble P 32       
     8  30*         -     -          -     -          -     - ensemble P 32       
     8  31*         -     -          -     -          -     - ensemble P 32       
     8  32*         -     -          -     -          -     - ensemble P 32       
     8  33*         -     -          -     -          -     - ensemble P 32       
     8  34*         -     -          -     -          -     - ensemble P 32       
     8  35*         -     -          -     -          -     - ensemble P 32       
     8  36*         -     -          -     -          -     - ensemble P 32       
     8  37*         -     -          -     -          -     - ensemble P 32       
     8  38*     -79.2 10.09      -89.9  9.97     -131.5 19.85 ensemble P 32       
   --- ---
     9   1*         -     -          -     -          -     - ensemble P 31       
     9   2*         -     -          -     -          -     - ensemble P 31       
     9   3*    -133.8  9.58     -135.8  9.79     -163.9 19.58 ensemble P 31       
   --- ---
    10   1     -108.7  4.45     -109.0  4.49     -111.0  4.31 ensemble P 31       
    10   2     -110.0  4.70     -112.2  4.80     -114.2  4.60 ensemble P 31       
    10   3     -102.3  5.32     -107.7  5.30     -113.5  4.44 ensemble P 31       
    10   4     -100.2  5.46     -108.5  4.52     -113.1  4.82 ensemble P 31       
    10   5     -114.4  4.15     -115.0  4.57     -115.7  4.73 ensemble P 31       
    10   6     -110.5  4.87     -115.8  5.68     -118.0  4.39 ensemble P 31       
    10   7     -112.9  4.40     -120.2  4.31     -125.0  4.58 ensemble P 31       
    10   8*         -     -          -     -          -     - ensemble P 31       
    10   9*         -     -          -     -          -     - ensemble P 31       
    10  10*         -     -          -     -          -     - ensemble P 31       
    10  11*         -     -          -     -          -     - ensemble P 31       
    10  12*         -     -          -     -          -     - ensemble P 31       
    10  13*         -     -          -     -          -     - ensemble P 31       
    10  14*         -     -          -     -          -     - ensemble P 31       
    10  15*         -     -          -     -          -     - ensemble P 31       
    10  16*         -     -          -     -          -     - ensemble P 31       
    10  17*         -     -          -     -          -     - ensemble P 31       
    10  18*         -     -          -     -          -     - ensemble P 31       
    10  19*         -     -          -     -          -     - ensemble P 31       
    10  20*         -     -          -     -          -     - ensemble P 31       
    10  21*         -     -          -     -          -     - ensemble P 31       
    10  22*         -     -          -     -          -     - ensemble P 31       
    10  23*         -     -          -     -          -     - ensemble P 31       
    10  24*         -     -          -     -          -     - ensemble P 31       
    10  25*         -     -          -     -          -     - ensemble P 31       
    10  26*         -     -          -     -          -     - ensemble P 31       
    10  27*         -     -          -     -          -     - ensemble P 31       
    10  28*         -     -          -     -          -     - ensemble P 31       
    10  29*         -     -          -     -          -     - ensemble P 31       
    10  30*         -     -          -     -          -     - ensemble P 31       
    10  31*         -     -          -     -          -     - ensemble P 31       
    10  32*         -     -          -     -          -     - ensemble P 31       
    10  33*     -95.5  9.63      -96.8  9.46     -117.8 19.49 ensemble P 31       
   --- ---
    11   1*         -     -          -     -          -     - ensemble P 31       
    11   2*         -     -          -     -          -     - ensemble P 31       
    11   3*         -     -          -     -          -     - ensemble P 31       
    11   4*         -     -          -     -          -     - ensemble P 31       
    11   5*         -     -          -     -          -     - ensemble P 31       
    11   6*         -     -          -     -          -     - ensemble P 31       
    11   7*         -     -          -     -          -     - ensemble P 31       
    11   8*         -     -          -     -          -     - ensemble P 31       
    11   9*    -109.0  9.17     -109.5  9.30     -163.7 18.29 ensemble P 31       
   --- ---
    12   1     -103.6  4.44     -105.1  4.92     -109.8  4.60 ensemble P 32       
    12   2     -109.3  4.82     -109.9  5.15     -110.9  4.71 ensemble P 32       
    12   3     -101.4  5.36     -103.4  5.37     -107.0  4.76 ensemble P 32       
    12   4     -108.9  4.13     -110.1  5.22     -113.5  4.39 ensemble P 32       
    12   5     -110.7  4.61     -113.2  4.73     -115.8  4.27 ensemble P 32       
    12   6     -110.1  5.08     -113.6  4.19     -114.7  4.72 ensemble P 32       
    12   7     -105.1  5.57     -112.2  5.09     -114.2  5.45 ensemble P 32       
    12   8      -87.6  5.84     -104.1  4.51     -106.6  5.18 ensemble P 32       
    12   9     -109.6  4.97     -111.0  5.00     -112.9  4.62 ensemble P 32       
    12  10     -118.8  4.44     -121.4  4.64     -123.3  4.38 ensemble P 32       
    12  11     -101.6  5.44     -109.0  4.52     -111.0  4.55 ensemble P 32       
    12  12*         -     -          -     -          -     - ensemble P 32       
    12  13*         -     -          -     -          -     - ensemble P 32       
    12  14*         -     -          -     -          -     - ensemble P 32       
    12  15*         -     -          -     -          -     - ensemble P 32       
    12  16*         -     -          -     -          -     - ensemble P 32       
    12  17*         -     -          -     -          -     - ensemble P 32       
    12  18*         -     -          -     -          -     - ensemble P 32       
    12  19*         -     -          -     -          -     - ensemble P 32       
    12  20*         -     -          -     -          -     - ensemble P 32       
    12  21*         -     -          -     -          -     - ensemble P 32       
    12  22*         -     -          -     -          -     - ensemble P 32       
    12  23*         -     -          -     -          -     - ensemble P 32       
    12  24*         -     -          -     -          -     - ensemble P 32       
    12  25*         -     -          -     -          -     - ensemble P 32       
    12  26*         -     -          -     -          -     - ensemble P 32       
    12  27*         -     -          -     -          -     - ensemble P 32       
    12  28*         -     -          -     -          -     - ensemble P 32       
    12  29*         -     -          -     -          -     - ensemble P 32       
    12  30*         -     -          -     -          -     - ensemble P 32       
    12  31*         -     -          -     -          -     - ensemble P 32       
    12  32*         -     -          -     -          -     - ensemble P 32       
    12  33*         -     -          -     -          -     - ensemble P 32       
    12  34*         -     -          -     -          -     - ensemble P 32       
    12  35*         -     -          -     -          -     - ensemble P 32       
    12  36*         -     -          -     -          -     - ensemble P 32       
    12  37*         -     -          -     -          -     - ensemble P 32       
    12  38*         -     -          -     -          -     - ensemble P 32       
    12  39*         -     -          -     -          -     - ensemble P 32       
    12  40*         -     -          -     -          -     - ensemble P 32       
    12  41*         -     -          -     -          -     - ensemble P 32       
    12  42*         -     -          -     -          -     - ensemble P 32       
    12  43*         -     -          -     -          -     - ensemble P 32       
    12  44*         -     -          -     -          -     - ensemble P 32       
    12  45*         -     -          -     -          -     - ensemble P 32       
    12  46*         -     -          -     -          -     - ensemble P 32       
    12  47*         -     -          -     -          -     - ensemble P 32       
    12  48*         -     -          -     -          -     - ensemble P 32       
    12  49*         -     -          -     -          -     - ensemble P 32       
    12  50*         -     -          -     -          -     - ensemble P 32       
    12  51*         -     -          -     -          -     - ensemble P 32       
    12  52*         -     -          -     -          -     - ensemble P 32       
    12  53*         -     -          -     -          -     - ensemble P 32       
    12  54*     -95.4  9.49      -95.5  9.56     -146.4 19.49 ensemble P 32       
   --- ---
    13   1     -111.1  4.51     -119.1  4.41     -119.4  4.28 ensemble P 31       
    13   2     -104.1  5.14     -111.1  4.37     -111.1  4.80 ensemble P 31       
    13   3     -102.4  5.06     -109.4  4.43     -110.7  4.36 ensemble P 31       
    13   4*         -     -          -     -          -     - ensemble P 31       
    13   5*         -     -          -     -          -     - ensemble P 31       
    13   6*         -     -          -     -          -     - ensemble P 31       
    13   7*         -     -          -     -          -     - ensemble P 31       
    13   8*         -     -          -     -          -     - ensemble P 31       
    13   9*         -     -          -     -          -     - ensemble P 31       
    13  10*         -     -          -     -          -     - ensemble P 31       
    13  11*         -     -          -     -          -     - ensemble P 31       
    13  12*         -     -          -     -          -     - ensemble P 31       
    13  13*         -     -          -     -          -     - ensemble P 31       
    13  14*         -     -          -     -          -     - ensemble P 31       
    13  15*         -     -          -     -          -     - ensemble P 31       
    13  16*         -     -          -     -          -     - ensemble P 31       
    13  17*         -     -          -     -          -     - ensemble P 31       
    13  18*         -     -          -     -          -     - ensemble P 31       
    13  19*         -     -          -     -          -     - ensemble P 31       
    13  20*     -99.9  9.77     -111.2  9.34     -151.1 19.73 ensemble P 31       
   --- ---
    14   1     -107.8  4.94     -116.3  4.60     -117.2  4.41 ensemble P 32       
    14   2     -116.9  4.49     -118.4  4.55     -118.5  4.55 ensemble P 32       
    14   3     -108.1  4.52     -115.1  4.61     -116.7  4.92 ensemble P 32       
    14   4     -119.3  4.37     -119.4  4.44     -121.1  4.42 ensemble P 32       
    14   5     -118.3  4.44     -118.5  4.53     -119.1  4.51 ensemble P 32       
    14   6     -114.9  4.70     -121.6  4.50     -125.2  4.63 ensemble P 32       
    14   7*         -     -          -     -          -     - ensemble P 32       
    14   8*         -     -          -     -          -     - ensemble P 32       
    14   9*         -     -          -     -          -     - ensemble P 32       
    14  10*         -     -          -     -          -     - ensemble P 32       
    14  11*         -     -          -     -          -     - ensemble P 32       
    14  12*         -     -          -     -          -     - ensemble P 32       
    14  13*         -     -          -     -          -     - ensemble P 32       
    14  14*         -     -          -     -          -     - ensemble P 32       
    14  15*         -     -          -     -          -     - ensemble P 32       
    14  16*         -     -          -     -          -     - ensemble P 32       
    14  17*         -     -          -     -          -     - ensemble P 32       
    14  18*         -     -          -     -          -     - ensemble P 32       
    14  19*         -     -          -     -          -     - ensemble P 32       
    14  20*         -     -          -     -          -     - ensemble P 32       
    14  21*         -     -          -     -          -     - ensemble P 32       
    14  22*         -     -          -     -          -     - ensemble P 32       
    14  23*         -     -          -     -          -     - ensemble P 32       
    14  24*         -     -          -     -          -     - ensemble P 32       
    14  25*         -     -          -     -          -     - ensemble P 32       
    14  26*     -81.0  9.85      -86.2  9.72     -115.7 18.81 ensemble P 32       
   --- ---
    15   1     -119.5  4.34     -122.5  4.60     -123.1  4.55 ensemble P 31       
    15   2*         -     -          -     -          -     - ensemble P 31       
    15   3*         -     -          -     -          -     - ensemble P 31       
    15   4*         -     -          -     -          -     - ensemble P 31       
    15   5*         -     -          -     -          -     - ensemble P 31       
    15   6*         -     -          -     -          -     - ensemble P 31       
    15   7*         -     -          -     -          -     - ensemble P 31       
    15   8*         -     -          -     -          -     - ensemble P 31       
    15   9*         -     -          -     -          -     - ensemble P 31       
    15  10*         -     -          -     -          -     - ensemble P 31       
    15  11*         -     -          -     -          -     - ensemble P 31       
    15  12*         -     -          -     -          -     - ensemble P 31       
    15  13*         -     -          -     -          -     - ensemble P 31       
    15  14*         -     -          -     -          -     - ensemble P 31       
    15  15*         -     -          -     -          -     - ensemble P 31       
    15  16*    -101.6  9.60     -108.9  9.23     -159.8 19.05 ensemble P 31       
   --- ---
    16   1     -121.6  4.93     -122.1  4.49     -122.2  4.50 ensemble P 31       
    16   2*         -     -          -     -          -     - ensemble P 31       
    16   3*         -     -          -     -          -     - ensemble P 31       
    16   4*         -     -          -     -          -     - ensemble P 31       
    16   5*         -     -          -     -          -     - ensemble P 31       
    16   6*         -     -          -     -          -     - ensemble P 31       
    16   7*         -     -          -     -          -     - ensemble P 31       
    16   8*         -     -          -     -          -     - ensemble P 31       
    16   9*         -     -          -     -          -     - ensemble P 31       
    16  10*         -     -          -     -          -     - ensemble P 31       
    16  11*         -     -          -     -          -     - ensemble P 31       
    16  12*         -     -          -     -          -     - ensemble P 31       
    16  13*    -102.5  9.74     -109.4  9.32     -151.8 18.89 ensemble P 31       
   --- ---
    17   1*         -     -          -     -          -     - ensemble P 32       
    17   2*         -     -          -     -          -     - ensemble P 32       
    17   3*         -     -          -     -          -     - ensemble P 32       
    17   4*         -     -          -     -          -     - ensemble P 32       
    17   5*         -     -          -     -          -     - ensemble P 32       
    17   6*         -     -          -     -          -     - ensemble P 32       
    17   7*    -107.4  9.41     -115.5  9.48     -164.7 18.94 ensemble P 32       
   --- ---
    18   1     -103.3  5.07     -105.9  5.02     -112.8  4.32 ensemble P 31       
    18   2*         -     -          -     -          -     - ensemble P 31       
    18   3*         -     -          -     -          -     - ensemble P 31       
    18   4*         -     -          -     -          -     - ensemble P 31       
    18   5*         -     -          -     -          -     - ensemble P 31       
    18   6*         -     -          -     -          -     - ensemble P 31       
    18   7*         -     -          -     -          -     - ensemble P 31       
    18   8*         -     -          -     -          -     - ensemble P 31       
    18   9*         -     -          -     -          -     - ensemble P 31       
    18  10*         -     -          -     -          -     - ensemble P 31       
    18  11*         -     -          -     -          -     - ensemble P 31       
    18  12*         -     -          -     -          -     - ensemble P 31       
    18  13*         -     -          -     -          -     - ensemble P 31       
    18  14*         -     -          -     -          -     - ensemble P 31       
    18  15*         -     -          -     -          -     - ensemble P 31       
    18  16*     -94.4  9.92     -103.8  9.41     -121.3 20.35 ensemble P 31       
   --- ---
    19   1      -99.8  5.02     -100.6  5.05     -103.1  4.55 ensemble P 32       
    19   2     -109.2  4.16     -113.2  4.33     -113.9  4.37 ensemble P 32       
    19   3     -107.1  5.23     -110.8  4.78     -115.6  5.01 ensemble P 32       
    19   4     -101.7  4.78     -108.1  4.22     -111.3  4.27 ensemble P 32       
    19   5     -114.2  4.44     -114.5  4.49     -116.8  4.60 ensemble P 32       
    19   6      -96.6  5.71     -103.4  5.54     -108.6  4.85 ensemble P 32       
    19   7      -98.2  4.88     -105.3  4.48     -107.0  4.40 ensemble P 32       
    19   8     -117.9  4.39     -121.3  4.50          -     - ensemble P 32       
    19   9*         -     -          -     -          -     - ensemble P 32       
    19  10*         -     -          -     -          -     - ensemble P 32       
    19  11*         -     -          -     -          -     - ensemble P 32       
    19  12*         -     -          -     -          -     - ensemble P 32       
    19  13*         -     -          -     -          -     - ensemble P 32       
    19  14*         -     -          -     -          -     - ensemble P 32       
    19  15*         -     -          -     -          -     - ensemble P 32       
    19  16*         -     -          -     -          -     - ensemble P 32       
    19  17*         -     -          -     -          -     - ensemble P 32       
    19  18*         -     -          -     -          -     - ensemble P 32       
    19  19*         -     -          -     -          -     - ensemble P 32       
    19  20*         -     -          -     -          -     - ensemble P 32       
    19  21*         -     -          -     -          -     - ensemble P 32       
    19  22*         -     -          -     -          -     - ensemble P 32       
    19  23*         -     -          -     -          -     - ensemble P 32       
    19  24*         -     -          -     -          -     - ensemble P 32       
    19  25*         -     -          -     -          -     - ensemble P 32       
    19  26*         -     -          -     -          -     - ensemble P 32       
    19  27*         -     -          -     -          -     - ensemble P 32       
    19  28*         -     -          -     -          -     - ensemble P 32       
    19  29*         -     -          -     -          -     - ensemble P 32       
    19  30*         -     -          -     -          -     - ensemble P 32       
    19  31*         -     -          -     -          -     - ensemble P 32       
    19  32*         -     -          -     -          -     - ensemble P 32       
    19  33*         -     -          -     -          -     - ensemble P 32       
    19  34*         -     -          -     -          -     - ensemble P 32       
    19  35*         -     -          -     -          -     - ensemble P 32       
    19  36*         -     -          -     -          -     - ensemble P 32       
    19  37*         -     -          -     -          -     - ensemble P 32       
    19  38*     -86.5  9.74      -90.8  9.70     -125.5 19.89 ensemble P 32       
   --- ---
    20   1*         -     -          -     -          -     - ensemble P 31       
    20   2*    -131.6 10.13     -137.6  9.57     -152.5 19.37 ensemble P 31       
   --- ---
    21   1     -110.1  5.17     -116.9  4.46     -118.9  4.52 ensemble P 31       
    21   2*         -     -          -     -          -     - ensemble P 31       
    21   3*         -     -          -     -          -     - ensemble P 31       
    21   4*         -     -          -     -          -     - ensemble P 31       
    21   5*         -     -          -     -          -     - ensemble P 31       
    21   6*         -     -          -     -          -     - ensemble P 31       
    21   7*         -     -          -     -          -     - ensemble P 31       
    21   8*         -     -          -     -          -     - ensemble P 31       
    21   9*         -     -          -     -          -     - ensemble P 31       
    21  10*    -103.8  9.74     -107.5  9.39     -144.9 19.25 ensemble P 31       
   --- ---
    22   1     -116.0  4.53     -122.2  4.55     -125.6  4.48 ensemble P 32       
    22   2     -121.9  4.86     -122.4  4.50     -127.6  4.50 ensemble P 32       
    22   3*         -     -          -     -          -     - ensemble P 32       
    22   4*         -     -          -     -          -     - ensemble P 32       
    22   5*         -     -          -     -          -     - ensemble P 32       
    22   6*         -     -          -     -          -     - ensemble P 32       
    22   7*         -     -          -     -          -     - ensemble P 32       
    22   8*         -     -          -     -          -     - ensemble P 32       
    22   9*         -     -          -     -          -     - ensemble P 32       
    22  10*         -     -          -     -          -     - ensemble P 32       
    22  11*         -     -          -     -          -     - ensemble P 32       
    22  12*         -     -          -     -          -     - ensemble P 32       
    22  13*         -     -          -     -          -     - ensemble P 32       
    22  14*         -     -          -     -          -     - ensemble P 32       
    22  15*         -     -          -     -          -     - ensemble P 32       
    22  16*         -     -          -     -          -     - ensemble P 32       
    22  17*     -94.4  9.54      -99.2  9.10     -108.4 20.27 ensemble P 32       
   --- ---
    23   1     -111.1  4.92     -120.7  4.45     -123.2  4.69 ensemble P 32       
    23   2*         -     -          -     -          -     - ensemble P 32       
    23   3*         -     -          -     -          -     - ensemble P 32       
    23   4*         -     -          -     -          -     - ensemble P 32       
    23   5*         -     -          -     -          -     - ensemble P 32       
    23   6*         -     -          -     -          -     - ensemble P 32       
    23   7*         -     -          -     -          -     - ensemble P 32       
    23   8*         -     -          -     -          -     - ensemble P 32       
    23   9*         -     -          -     -          -     - ensemble P 32       
    23  10*         -     -          -     -          -     - ensemble P 32       
    23  11*         -     -          -     -          -     - ensemble P 32       
    23  12*         -     -          -     -          -     - ensemble P 32       
    23  13*         -     -          -     -          -     - ensemble P 32       
    23  14*     -91.7  9.80     -120.6  8.62     -125.0 19.51 ensemble P 32       
   --- ---
    24   1     -103.0  5.09     -113.0  4.60     -119.1  4.56 ensemble P 31       
    24   2     -104.0  5.23     -118.3  4.68     -122.1  4.55 ensemble P 31       
    24   3     -109.4  5.11     -115.4  4.53     -120.6  4.49 ensemble P 31       
    24   4*         -     -          -     -          -     - ensemble P 31       
    24   5*         -     -          -     -          -     - ensemble P 31       
    24   6*         -     -          -     -          -     - ensemble P 31       
    24   7*         -     -          -     -          -     - ensemble P 31       
    24   8*         -     -          -     -          -     - ensemble P 31       
    24   9*         -     -          -     -          -     - ensemble P 31       
    24  10*         -     -          -     -          -     - ensemble P 31       
    24  11*         -     -          -     -          -     - ensemble P 31       
    24  12*         -     -          -     -          -     - ensemble P 31       
    24  13*         -     -          -     -          -     - ensemble P 31       
    24  14*         -     -          -     -          -     - ensemble P 31       
    24  15*         -     -          -     -          -     - ensemble P 31       
    24  16*         -     -          -     -          -     - ensemble P 31       
    24  17*         -     -          -     -          -     - ensemble P 31       
    24  18*         -     -          -     -          -     - ensemble P 31       
    24  19*         -     -          -     -          -     - ensemble P 31       
    24  20*     -86.5  9.88      -91.5  9.54     -142.5 18.98 ensemble P 31       
   --- ---
    25   1     -114.0  4.57     -118.4  4.46     -119.9  4.60 ensemble P 31       
    25   2     -109.8  4.30     -115.9  4.34     -117.8  4.48 ensemble P 31       
    25   3     -113.3  5.08     -115.1  4.79     -115.6  5.06 ensemble P 31       
    25   4     -108.5  5.27     -109.9  5.20     -111.6  4.71 ensemble P 31       
    25   5*         -     -          -     -          -     - ensemble P 31       
    25   6*         -     -          -     -          -     - ensemble P 31       
    25   7*         -     -          -     -          -     - ensemble P 31       
    25   8*         -     -          -     -          -     - ensemble P 31       
    25   9*         -     -          -     -          -     - ensemble P 31       
    25  10*         -     -          -     -          -     - ensemble P 31       
    25  11*         -     -          -     -          -     - ensemble P 31       
    25  12*         -     -          -     -          -     - ensemble P 31       
    25  13*         -     -          -     -          -     - ensemble P 31       
    25  14*         -     -          -     -          -     - ensemble P 31       
    25  15*         -     -          -     -          -     - ensemble P 31       
    25  16*         -     -          -     -          -     - ensemble P 31       
    25  17*         -     -          -     -          -     - ensemble P 31       
    25  18*         -     -          -     -          -     - ensemble P 31       
    25  19*         -     -          -     -          -     - ensemble P 31       
    25  20*         -     -          -     -          -     - ensemble P 31       
    25  21*         -     -          -     -          -     - ensemble P 31       
    25  22*         -     -          -     -          -     - ensemble P 31       
    25  23*         -     -          -     -          -     - ensemble P 31       
    25  24*         -     -          -     -          -     - ensemble P 31       
    25  25*         -     -          -     -          -     - ensemble P 31       
    25  26*         -     -          -     -          -     - ensemble P 31       
    25  27*         -     -          -     -          -     - ensemble P 31       
    25  28*         -     -          -     -          -     - ensemble P 31       
    25  29*         -     -          -     -          -     - ensemble P 31       
    25  30*         -     -          -     -          -     - ensemble P 31       
    25  31*     -77.6 10.24      -85.3 10.29     -149.7 19.05 ensemble P 31       
   --- ---
    26   1*         -     -          -     -          -     - ensemble P 31       
    26   2*         -     -          -     -          -     - ensemble P 31       
    26   3*         -     -          -     -          -     - ensemble P 31       
    26   4*         -     -          -     -          -     - ensemble P 31       
    26   5*         -     -          -     -          -     - ensemble P 31       
    26   6*         -     -          -     -          -     - ensemble P 31       
    26   7*         -     -          -     -          -     - ensemble P 31       
    26   8*    -109.1  9.53     -111.7  9.76     -167.1 19.05 ensemble P 31       
   --- ---
    27   1*         -     -          -     -          -     - ensemble P 31       
    27   2*         -     -          -     -          -     - ensemble P 31       
    27   3*         -     -          -     -          -     - ensemble P 31       
    27   4*         -     -          -     -          -     - ensemble P 31       
    27   5*         -     -          -     -          -     - ensemble P 31       
    27   6*         -     -          -     -          -     - ensemble P 31       
    27   7*    -109.7  9.43     -117.6  9.23     -147.1 19.05 ensemble P 31       
   --- ---
    28   1     -104.2  5.27     -105.8  4.92     -107.9  5.49 ensemble P 31       
    28   2     -113.9  4.98     -123.2  4.74     -124.6  4.66 ensemble P 31       
    28   3*         -     -          -     -          -     - ensemble P 31       
    28   4*         -     -          -     -          -     - ensemble P 31       
    28   5*         -     -          -     -          -     - ensemble P 31       
    28   6*         -     -          -     -          -     - ensemble P 31       
    28   7*         -     -          -     -          -     - ensemble P 31       
    28   8*         -     -          -     -          -     - ensemble P 31       
    28   9*         -     -          -     -          -     - ensemble P 31       
    28  10*         -     -          -     -          -     - ensemble P 31       
    28  11*         -     -          -     -          -     - ensemble P 31       
    28  12*         -     -          -     -          -     - ensemble P 31       
    28  13*         -     -          -     -          -     - ensemble P 31       
    28  14*         -     -          -     -          -     - ensemble P 31       
    28  15*         -     -          -     -          -     - ensemble P 31       
    28  16*         -     -          -     -          -     - ensemble P 31       
    28  17*     -85.8 10.25      -95.3  9.62     -165.9 18.56 ensemble P 31       
   --- ---
    29   1*         -     -          -     -          -     - ensemble P 31       
    29   2*         -     -          -     -          -     - ensemble P 31       
    29   3*         -     -          -     -          -     - ensemble P 31       
    29   4*    -103.4  9.76     -125.2  8.72     -161.9 18.58 ensemble P 31       
   --- ---
    30   1     -106.2  5.13     -107.7  5.04     -110.2  4.74 ensemble P 32       
    30   2*         -     -          -     -          -     - ensemble P 32       
    30   3*         -     -          -     -          -     - ensemble P 32       
    30   4*         -     -          -     -          -     - ensemble P 32       
    30   5*         -     -          -     -          -     - ensemble P 32       
    30   6*         -     -          -     -          -     - ensemble P 32       
    30   7*         -     -          -     -          -     - ensemble P 32       
    30   8*         -     -          -     -          -     - ensemble P 32       
    30   9*         -     -          -     -          -     - ensemble P 32       
    30  10*         -     -          -     -          -     - ensemble P 32       
    30  11*         -     -          -     -          -     - ensemble P 32       
    30  12*     -93.5  9.98     -103.6  9.41     -144.9 19.47 ensemble P 32       
   --- ---
    31   1     -101.1  4.58     -106.6  5.01     -106.6  4.66 ensemble P 31       
    31   2     -105.4  4.53     -111.0  4.13     -113.5  4.29 ensemble P 31       
    31   3     -106.0  5.01     -110.5  4.53     -112.9  4.46 ensemble P 31       
    31   4     -121.7  4.33     -125.8  4.46     -127.8  4.43 ensemble P 31       
    31   5     -104.6  5.06     -113.7  5.18     -121.1  4.45 ensemble P 31       
    31   6*         -     -          -     -          -     - ensemble P 31       
    31   7*         -     -          -     -          -     - ensemble P 31       
    31   8*         -     -          -     -          -     - ensemble P 31       
    31   9*         -     -          -     -          -     - ensemble P 31       
    31  10*         -     -          -     -          -     - ensemble P 31       
    31  11*         -     -          -     -          -     - ensemble P 31       
    31  12*         -     -          -     -          -     - ensemble P 31       
    31  13*         -     -          -     -          -     - ensemble P 31       
    31  14*         -     -          -     -          -     - ensemble P 31       
    31  15*         -     -          -     -          -     - ensemble P 31       
    31  16*         -     -          -     -          -     - ensemble P 31       
    31  17*         -     -          -     -          -     - ensemble P 31       
    31  18*         -     -          -     -          -     - ensemble P 31       
    31  19*         -     -          -     -          -     - ensemble P 31       
    31  20*         -     -          -     -          -     - ensemble P 31       
    31  21*         -     -          -     -          -     - ensemble P 31       
    31  22*         -     -          -     -          -     - ensemble P 31       
    31  23*         -     -          -     -          -     - ensemble P 31       
    31  24*         -     -          -     -          -     - ensemble P 31       
    31  25*         -     -          -     -          -     - ensemble P 31       
    31  26*         -     -          -     -          -     - ensemble P 31       
    31  27*         -     -          -     -          -     - ensemble P 31       
    31  28*         -     -          -     -          -     - ensemble P 31       
    31  29*         -     -          -     -          -     - ensemble P 31       
    31  30*         -     -          -     -          -     - ensemble P 31       
    31  31*         -     -          -     -          -     - ensemble P 31       
    31  32*         -     -          -     -          -     - ensemble P 31       
    31  33*         -     -          -     -          -     - ensemble P 31       
    31  34*         -     -          -     -          -     - ensemble P 31       
    31  35*     -98.9  9.50     -102.9  9.00     -153.3 18.95 ensemble P 31       
   --- ---
    32   1*         -     -          -     -          -     - ensemble P 32       
    32   2*         -     -          -     -          -     - ensemble P 32       
    32   3*         -     -          -     -          -     - ensemble P 32       
    32   4*         -     -          -     -          -     - ensemble P 32       
    32   5*         -     -          -     -          -     - ensemble P 32       
    32   6*         -     -          -     -          -     - ensemble P 32       
    32   7*         -     -          -     -          -     - ensemble P 32       
    32   8*    -115.3  9.00     -117.3  9.21     -169.6 18.26 ensemble P 32       
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = -77.64
   Top TFZ = 20.35
   Mean TF = -226.12
   Percent used for purge = 75%
   Cutoff for acceptance = -114.8
      TFZ used for final selection = 10.1772
         Number of solutions over TF final cutoff  = 417
         Number of solutions over TFZ final cutoff = 67
         Number of solutions over TF & TFZ cutoff  = 5
   Number of solutions stored before final selection = 1878
   Number of solutions stored (deleted) after final selection = 479 (1399)


$TABLE : Translation Function Component #3 (ensemble1):
$GRAPHS 
:TF Number vs LL-gain:AUTO:1,2: :TF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1     -77.64 10.24
2     -79.15 10.09
3     -81.04  9.85
4     -81.92  5.36
5     -84.60  5.35
6     -85.32 10.29
7     -85.81 10.25
8     -86.12  9.50
9     -86.23  9.72
10     -86.52  9.74
11     -86.54  9.88
12     -87.11  9.72
13     -87.50  6.26
14     -87.61  5.84
15     -87.73  5.17
16     -89.75  5.22
17     -89.92  9.97
18     -90.83  9.70
19     -91.49  9.71
20     -91.52  9.54
21     -91.56  5.56
22     -91.72  9.80
23     -92.05  5.56
24     -92.44  5.40
25     -93.46  9.98
26     -93.88  9.90
27     -94.37  9.54
28     -94.40  9.92
29     -94.59  4.50
30     -95.13  5.50
31     -95.26  9.62
32     -95.42  4.79
33     -95.44  9.49
34     -95.48  9.63
35     -95.54  9.56
36     -96.63  5.71
37     -96.73  5.39
38     -96.82  9.46
39     -97.12  5.04
40     -97.68  9.65
41     -98.15  5.33
42     -98.23  4.88
43     -98.39  5.18
44     -98.41  4.88
45     -98.88  9.50
46     -99.22  9.10
47     -99.77  5.02
48     -99.87  5.30
49     -99.89  9.77
50     -99.96  9.72
51    -100.16  5.46
52    -100.21  5.62
53    -100.40  4.68
54    -100.62  5.05
55    -100.75  4.94
56    -100.88  5.54
57    -100.97  5.73
58    -101.08  4.58
59    -101.08  4.61
60    -101.38  5.36
61    -101.46  5.08
62    -101.58  5.44
63    -101.58  5.25
64    -101.58  4.85
65    -101.65  9.60
66    -101.66  4.78
67    -101.98  4.51
68    -102.03  5.03
69    -102.27  5.32
70    -102.35  5.06
71    -102.49  9.74
72    -102.56  4.72
73    -102.93  9.00
74    -102.96  5.13
75    -102.97  5.09
76    -103.10  4.55
77    -103.32  5.07
78    -103.35  5.37
79    -103.37  9.76
80    -103.43  5.54
81    -103.47  4.37
82    -103.48  4.83
83    -103.56  9.41
84    -103.56  4.03
85    -103.62  4.44
86    -103.65  4.82
87    -103.77  9.41
88    -103.85  9.74
89    -103.95  5.23
90    -104.03  9.24
91    -104.12  4.51
92    -104.14  5.14
93    -104.16  5.27
94    -104.23  4.77
95    -104.32  4.65
96    -104.34  9.60
97    -104.35  5.00
98    -104.45  4.73
99    -104.60  5.17
100    -104.63  4.93
101    -104.65  5.06
102    -104.71  5.04
103    -104.74  4.38
104    -105.10  4.44
105    -105.12  5.57
106    -105.15  4.92
107    -105.32  4.48
108    -105.36  4.53
109    -105.52  4.74
110    -105.53  4.39
111    -105.75  5.10
112    -105.76  4.92
113    -105.86  5.02
114    -105.91  5.23
115    -105.93  5.01
116    -105.94  4.86
117    -105.96  4.42
118    -105.97  4.70
119    -106.04  5.01
120    -106.14  4.17
121    -106.17  4.76
122    -106.17  4.26
123    -106.23  5.13
124    -106.26  4.52
125    -106.29  4.25
126    -106.30  4.59
127    -106.37  4.15
128    -106.43  5.11
129    -106.48  4.60
130    -106.58  5.01
131    -106.60  5.18
132    -106.64  4.66
133    -106.77  5.15
134    -106.83  5.16
135    -106.91  9.22
136    -106.96  4.40
137    -106.98  4.76
138    -107.06  5.23
139    -107.07  4.77
140    -107.13  3.93
141    -107.19  4.99
142    -107.24  4.77
143    -107.26  4.64
144    -107.41  4.73
145    -107.42  9.41
146    -107.47  4.92
147    -107.48  4.49
148    -107.52  9.39
149    -107.53  5.07
150    -107.70  3.99
151    -107.70  5.30
152    -107.71  4.81
153    -107.71  5.04
154    -107.77  4.94
155    -107.88  4.56
156    -107.95  5.49
157    -107.95  4.45
158    -108.01  4.28
159    -108.05  4.52
160    -108.08  4.22
161    -108.26  5.05
162    -108.29  4.44
163    -108.35 20.27
164    -108.40  4.53
165    -108.52  5.27
166    -108.55  4.52
167    -108.55  4.48
168    -108.60  4.85
169    -108.63  4.26
170    -108.72  4.45
171    -108.72  4.23
172    -108.80  4.72
173    -108.86  4.13
174    -108.89  4.08
175    -108.90  4.86
176    -108.94  9.23
177    -108.96  9.17
178    -108.99  4.52
179    -109.00  4.49
180    -109.05  4.10
181    -109.08  4.34
182    -109.09  3.96
183    -109.10  9.53
184    -109.11  3.96
185    -109.15  4.34
186    -109.18  4.35
187    -109.23  4.16
188    -109.28  4.82
189    -109.29  4.53
190    -109.31  4.31
191    -109.40  9.32
192    -109.44  5.11
193    -109.45  4.43
194    -109.45  4.80
195    -109.48  4.63
196    -109.49  9.30
197    -109.60  4.97
198    -109.62  4.45
199    -109.72  9.43
200    -109.77  3.62
201    -109.81  4.60
202    -109.84  4.30
203    -109.88  5.20
204    -109.90  3.93
205    -109.94  5.15
206    -109.96  4.39
207    -110.00  4.70
208    -110.08  5.08
209    -110.08  5.17
210    -110.11  5.22
211    -110.14  4.69
212    -110.19  4.25
213    -110.19  4.74
214    -110.24  4.45
215    -110.27  4.86
216    -110.40  5.20
217    -110.49  4.53
218    -110.53  4.87
219    -110.55  4.45
220    -110.59  5.96
221    -110.60  4.42
222    -110.60  4.92
223    -110.67  4.47
224    -110.69  4.31
225    -110.71  4.36
226    -110.75  4.61
227    -110.76  4.39
228    -110.77  4.43
229    -110.81  4.78
230    -110.82  4.21
231    -110.83  4.16
232    -110.87  4.14
233    -110.87  4.71
234    -110.94  4.46
235    -110.95  9.41
236    -110.97  4.13
237    -110.98  5.00
238    -110.98  4.31
239    -110.99  4.55
240    -110.99  5.03
241    -111.01  4.46
242    -111.05  4.37
243    -111.09  4.80
244    -111.09  4.33
245    -111.10  4.92
246    -111.10  4.49
247    -111.11  4.51
248    -111.12  4.07
249    -111.13  4.64
250    -111.13  4.57
251    -111.15  4.26
252    -111.16  4.34
253    -111.16  4.79
254    -111.20  9.34
255    -111.24  4.17
256    -111.27  4.27
257    -111.31  5.48
258    -111.31  3.96
259    -111.33  5.01
260    -111.34  4.56
261    -111.34  3.78
262    -111.35  4.35
263    -111.35  4.14
264    -111.36  4.85
265    -111.38  4.40
266    -111.42  4.09
267    -111.43  4.84
268    -111.56  4.88
269    -111.57  4.71
270    -111.60  4.22
271    -111.62  4.66
272    -111.66  9.76
273    -111.67  4.35
274    -111.71  4.48
275    -111.72  4.73
276    -111.73  5.60
277    -111.75  4.48
278    -111.76  4.23
279    -111.79  4.66
280    -111.79  4.22
281    -111.81  4.68
282    -111.92  4.84
283    -111.92  4.23
284    -111.94  4.28
285    -111.99  4.65
286    -111.99  4.33
287    -112.06  4.09
288    -112.16  4.47
289    -112.17  4.76
290    -112.21  4.28
291    -112.22  4.80
292    -112.24  4.35
293    -112.24  5.09
294    -112.26  9.28
295    -112.27  4.52
296    -112.50  4.62
297    -112.51  4.21
298    -112.56  4.67
299    -112.57  4.25
300    -112.59  4.48
301    -112.59  4.35
302    -112.61  4.44
303    -112.61  4.71
304    -112.62  4.35
305    -112.62  4.08
306    -112.69  4.67
307    -112.76  5.45
308    -112.77  4.42
309    -112.80  3.79
310    -112.83  4.32
311    -112.85  4.62
312    -112.88  4.40
313    -112.89  4.45
314    -112.89  3.64
315    -112.89  4.53
316    -112.89  4.46
317    -112.90  4.42
318    -112.90  4.09
319    -112.96  4.46
320    -112.97  3.92
321    -113.00  4.25
322    -113.00  4.45
323    -113.01  5.02
324    -113.02  4.60
325    -113.03  4.14
326    -113.03  4.85
327    -113.03  4.43
328    -113.03  4.70
329    -113.03  4.70
330    -113.06  4.59
331    -113.10  4.48
332    -113.13  4.82
333    -113.17  3.99
334    -113.20  4.49
335    -113.21  4.24
336    -113.22  4.73
337    -113.22  4.16
338    -113.22  4.20
339    -113.24  4.33
340    -113.25  4.48
341    -113.26  3.35
342    -113.27  3.97
343    -113.27  5.00
344    -113.30 20.06
345    -113.33  5.08
346    -113.36  4.59
347    -113.37  3.49
348    -113.38  4.60
349    -113.45  4.37
350    -113.45  4.44
351    -113.45  4.54
352    -113.47  4.39
353    -113.48  4.29
354    -113.51  4.70
355    -113.52  4.84
356    -113.52  4.86
357    -113.53  4.32
358    -113.54  4.18
359    -113.55  4.56
360    -113.56  3.88
361    -113.58  4.31
362    -113.60  4.19
363    -113.61  4.14
364    -113.61  4.02
365    -113.62  4.11
366    -113.66  5.18
367    -113.68  5.03
368    -113.70  3.84
369    -113.77  4.43
370    -113.79  4.52
371    -113.80  4.33
372    -113.82  4.07
373    -113.85  3.85
374    -113.86  4.98
375    -113.89  4.30
376    -113.90  4.37
377    -113.97  4.57
378    -114.03  4.18
379    -114.03  4.13
380    -114.05  4.24
381    -114.07  4.30
382    -114.07  5.02
383    -114.10  4.56
384    -114.13  3.93
385    -114.16  3.85
386    -114.17  4.30
387    -114.18  4.21
388    -114.19  4.60
389    -114.23  5.45
390    -114.23  4.44
391    -114.24  4.00
392    -114.26  4.21
393    -114.37  3.96
394    -114.37  4.78
395    -114.37  4.17
396    -114.42  4.72
397    -114.43  4.15
398    -114.45  4.06
399    -114.51  4.52
400    -114.51  4.23
401    -114.53  4.49
402    -114.55  4.52
403    -114.56  3.96
404    -114.56  4.53
405    -114.56  4.59
406    -114.57  4.84
407    -114.57  3.99
408    -114.58  4.44
409    -114.60  4.50
410    -114.62  4.20
411    -114.64  4.69
412    -114.66  4.72
413    -114.67  4.21
414    -114.70  4.45
415    -114.71  3.99
416    -114.73  4.55
417    -114.74  4.78
418    -115.66 18.81
419    -117.36 19.94
420    -117.57 19.85
421    -117.83 19.49
422    -118.49 20.26
423    -121.34 20.35
424    -121.92 20.09
425    -124.56 20.07
426    -125.03 19.51
427    -125.41 19.75
428    -125.49 19.89
429    -125.87 18.72
430    -126.63 19.71
431    -127.84 19.86
432    -128.92 19.63
433    -129.16 19.25
434    -129.50 19.71
435    -129.82 19.53
436    -131.24 19.76
437    -131.53 19.85
438    -136.32 19.47
439    -137.86 19.26
440    -138.80 19.56
441    -139.74 19.42
442    -142.54 18.98
443    -144.93 19.47
444    -144.94 19.25
445    -146.45 19.49
446    -147.10 19.05
447    -149.73 19.05
448    -150.13 18.65
449    -151.15 19.73
450    -151.77 18.89
451    -152.52 19.37
452    -153.34 18.95
453    -153.46 19.20
454    -154.48 18.68
455    -154.51 18.91
456    -155.27 19.09
457    -155.73 19.04
458    -158.49 18.75
459    -159.85 19.05
460    -159.93 18.09
461    -160.34 18.94
462    -161.50 19.10
463    -161.87 18.58
464    -162.12 19.38
465    -163.66 18.29
466    -163.90 19.58
467    -164.75 18.94
468    -165.17 18.54
469    -165.56 19.42
470    -165.88 18.56
471    -167.10 19.05
472    -168.85 18.71
473    -169.43 17.85
474    -169.63 18.26
475    -172.91 17.88
476    -172.93 18.83
477    -173.86 18.38
478    -176.64 18.31
479    -181.39 17.88
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 15 mins 36.67 secs (    936.67 secs)
Finished: Thu Apr 21 17:58:31 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                   2.6.1 ***
*************************************************************************************


---------
ENSEMBLES
---------

   Packing Ensemble: ensemble1

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "ensemble1" Point Group: 1

----------------------
STRUCTURES FOR PACKING
----------------------

   Packing will be performed with "trace" atoms
      : C-alphas for protein
      : P C3* & C4* for single stranded nucleic acid
      : P C3* & C4* and N (bases) for double stranded nucleic acid
   If there are no trace atoms in the molecule(s) all atoms will be used in the
   packing test
   If the trace length exceeds 1000 atoms then the molecule(s) will be sampled on a
   hexagonal grid and the clash distance increased in proportion to the size of the
   hexagonal grid sampling
   When an ensemble consists of more than one structure, the structure with the
   highest homology is selected for packing and the structure trimmed of loops that
   diverge more than 3A from other atoms in the ensemble


   Ensemble: ensemble1
   -------------------
   All atoms =  707
   Structure with lowest rms = 2N2D-model1.pdb (0.362426)
   Trace length = 155
   Trace atoms clash if they are closer than  3.00 Angstroms


----------------
PACKING FUNCTION
----------------

   There are 479 solutions to pack
   Spreading calculation onto 2 threads.
   Packing analysis
   0%                                                           100%
   |=============================================================| DONE


-------------------------------------------------------------------------------------
Warning: Packing Component #4
Solutions with Z-scores greater than 10.2 (the threshold indicating a definite
solution) failed the packing test
#1 TFZ=10.2 PAK=513
#6 TFZ=10.3 PAK=516
#7 TFZ=10.3 PAK=516
-------------------------------------------------------------------------------------



   Packing Table
   -------------
   Solutions accepted if total number of clashes <= 5% of trace atoms
      i.e. total number of clashes <= 31
   AND if number of clashes <= 5% of trace atoms for each ensemble
      i.e. ensemble1: number of clashes <= 7
   #in  #out Clashes Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    ---   513    --      25    31    1        -77.64 10.24  P 31       
   2    ---  >32     --       8    38    1        -79.15 10.09  P 32       
   3    ---  >32     --      14    26    1        -81.04  9.85  P 32       
   4    ---  >32     --       5     7    1        -81.92  5.36  P 31       
   5    Top1  1      --       5     6    1        -84.60  5.35  P 31       
   6    ---   516    --      25    31    2        -85.32 10.29  P 31       
   7    ---   516    --      28    17    1        -85.81 10.25  P 31       
   8    ---  >32     --       5    41    1        -86.12  9.50  P 31       
   9    ---  >32     --      14    26    2        -86.23  9.72  P 32       
   10   ---  >32     --      19    38    1        -86.52  9.74  P 32       
   11   ---  >32     --      24    20    1        -86.54  9.88  P 31       
   12   ---  >32     --       5    41    2        -87.11  9.72  P 31       
   13   2     0      --       8     7    1        -87.50  6.26  P 32       
   14   ---  >32     --      12     8    1        -87.61  5.84  P 32       
   15   3     1      --       5     6    2        -87.73  5.17  P 31       
   16   ---  >32     --       5     4    1        -89.75  5.22  P 31       
   17   ---  >32     --       8    38    2        -89.92  9.97  P 32       
   18   ---  >32     --      19    38    2        -90.83  9.70  P 32       
   19   ---  >32     --       6    38    1        -91.49  9.71  P 32       
   20   ---  >32     --      24    20    2        -91.52  9.54  P 31       
   21   4     0      --       5     2    1        -91.56  5.56  P 31       
   22   ---  >32     --      23    14    1        -91.72  9.80  P 32       
   23   5     8      --       5     7    2        -92.05  5.56  P 31       
   24   6     8      --       5     9    1        -92.44  5.40  P 31       
   25   ---  >32     --      30    12    1        -93.46  9.98  P 32       
   26   ---  >32     --       6    38    2        -93.88  9.90  P 32       
   27   ---  >32     --      22    17    1        -94.37  9.54  P 32       
   28   ---  >32     --      18    16    1        -94.40  9.92  P 31       
   29   7     2      --       5     1    1        -94.59  4.50  P 31       
   30   8     3      --       7     8    1        -95.13  5.50  P 32       
   31   ---  >32     --      28    17    2        -95.26  9.62  P 31       
   32   ---  >32     --       5     4    2        -95.42  4.79  P 31       
   33   ---  >32     --      12    54    1        -95.44  9.49  P 32       
   34   ---  >32     --      10    33    1        -95.48  9.63  P 31       
   35   ---  >32     --      12    54    2        -95.54  9.56  P 32       
   36   9     0      --      19     6    1        -96.63  5.71  P 32       
   37   10    8      --       8     6    1        -96.73  5.39  P 32       
   38   ---  >32     --      10    33    2        -96.82  9.46  P 31       
   39   ---  >32     --       5     6    3        -97.12  5.04  P 31       
   40   ---  >32     --       7    43    1        -97.68  9.65  P 32       
   41   ---  >32     --       6     6    1        -98.15  5.33  P 32       
   42   11    10     --      19     7    1        -98.23  4.88  P 32       
   43   ---  >32     --       5    10    1        -98.39  5.18  P 31       
   44   ---  >32     --       8     1    1        -98.41  4.88  P 32       
   45   ---  >32     --      31    35    1        -98.88  9.50  P 31       
   46   ---  >32     --      22    17    2        -99.22  9.10  P 32       
   47   ---  >32     --      19     1    1        -99.77  5.02  P 32       
   48   12    4      --       7     8    2        -99.87  5.30  P 32       
   49   ---  >32     --      13    20    1        -99.89  9.77  P 31       
   50   ---  >32     --       7    43    2        -99.96  9.72  P 32       
   51   ---  >32     --      10     4    1       -100.16  5.46  P 31       
   52   13    5      --       5     4    3       -100.21  5.62  P 31       
   53   ---  >32     --       5     2    2       -100.40  4.68  P 31       
   54   ---  >32     --      19     1    2       -100.62  5.05  P 32       
   55   ---  >32     --       8     7    2       -100.75  4.94  P 32       
   56   ---  >32     --       7     2    1       -100.88  5.54  P 32       
   57   ---  >32     --       7     2    2       -100.97  5.73  P 32       
   58   ---  >32     --      31     1    1       -101.08  4.58  P 31       
   59   ---  >32     --       5     5    1       -101.08  4.61  P 31       
   60   ---  >32     --      12     3    1       -101.38  5.36  P 32       
   61   ---  >32     --       5    10    2       -101.46  5.08  P 31       
   62   14    2      --      12    11    1       -101.58  5.44  P 32       
   63   15    3      --       7     8    3       -101.58  5.25  P 32       
   64   ---  >32     --       5     3    1       -101.58  4.85  P 31       
   65   ---  >32     --      15    16    1       -101.65  9.60  P 31       
   66   ---  >32     --      19     4    1       -101.66  4.78  P 32       
   67   ---  >32     --       5     2    3       -101.98  4.51  P 31       
   68   ---   19     --       5     7    3       -102.03  5.03  P 31       
   69   ---  >32     --      10     3    1       -102.27  5.32  P 31       
   70   ---  >32     --      13     3    1       -102.35  5.06  P 31       
   71   ---  >32     --      16    13    1       -102.49  9.74  P 31       
   72   ---  >32     --       5    10    3       -102.56  4.72  P 31       
   73   ---  >32     --      31    35    2       -102.93  9.00  P 31       
   74   ---  >32     --       7     8    4       -102.96  5.13  P 32       
   75   ---  >32     --      24     1    1       -102.97  5.09  P 31       
   76   ---  >32     --      19     1    3       -103.10  4.55  P 32       
   77   ---  >32     --      18     1    1       -103.32  5.07  P 31       
   78   16    1      --      12     3    2       -103.35  5.37  P 32       
   79   ---  >32     --      29     4    1       -103.37  9.76  P 31       
   80   17    2      --      19     6    2       -103.43  5.54  P 32       
   81   ---  >32     --       5     5    2       -103.47  4.37  P 31       
   82   ---  >32     --       5     3    2       -103.48  4.83  P 31       
   83   ---  >32     --      30    12    2       -103.56  9.41  P 32       
   84   ---  >32     --       5     2    4       -103.56  4.03  P 31       
   85   ---  >32     --      12     1    1       -103.62  4.44  P 32       
   86   ---  >32     --       8     1    2       -103.65  4.82  P 32       
   87   ---  >32     --      18    16    2       -103.77  9.41  P 31       
   88   ---  >32     --      21    10    1       -103.85  9.74  P 31       
   89   ---  >32     --      24     2    1       -103.95  5.23  P 31       
   90   ---  >32     --       1     8    1       -104.03  9.24  P 31       
   91   ---  >32     --      12     8    2       -104.12  4.51  P 32       
   92   ---  >32     --      13     2    1       -104.14  5.14  P 31       
   93   ---  >32     --      28     1    1       -104.16  5.27  P 31       
   94   18    3      --       5     4    4       -104.23  4.77  P 31       
   95   ---  >32     --       5     2    5       -104.32  4.65  P 31       
   96   ---  >32     --       3    15    1       -104.34  9.60  P 32       
   97   ---  >32     --       6     5    1       -104.35  5.00  P 32       
   98   ---  >32     --       5     2    6       -104.45  4.73  P 31       
   99   ---  >32     --       7     8    5       -104.60  5.17  P 32       
   100  ---   30     --       7     6    1       -104.63  4.93  P 32       
   101  ---  >32     --      31     5    1       -104.65  5.06  P 31       
   102  19    2      --       5     2    7       -104.71  5.04  P 31       
   103  ---  >32     --       8     1    3       -104.74  4.38  P 32       
   104  ---  >32     --       5     6    4       -105.10  4.44  P 31       
   105  20    0      --      12     7    1       -105.12  5.57  P 32       
   106  ---  >32     --      12     1    2       -105.15  4.92  P 32       
   107  ---  >32     --      19     7    2       -105.32  4.48  P 32       
   108  ---  >32     --      31     2    1       -105.36  4.53  P 31       
   109  ---  >32     --       5     8    1       -105.52  4.74  P 31       
   110  ---  >32     --       8     1    4       -105.53  4.39  P 32       
   111  ---  >32     --       8     2    1       -105.75  5.10  P 32       
   112  21    2      --      28     1    2       -105.76  4.92  P 31       
   113  ---  >32     --      18     1    2       -105.86  5.02  P 31       
   114  ---   30     --       8     8    1       -105.91  5.23  P 32       
   115  ---  >32     --       5     7    4       -105.93  5.01  P 31       
   116  ---  >32     --       7     7    1       -105.94  4.86  P 32       
   117  22    12     --       7     4    1       -105.96  4.42  P 32       
   118  ---  >32     --       8     1    5       -105.97  4.70  P 32       
   119  ---  >32     --      31     3    1       -106.04  5.01  P 31       
   120  23    4      --       5    10    4       -106.14  4.17  P 31       
   121  ---  >32     --       8     1    6       -106.17  4.76  P 32       
   122  ---  >32     --       5     1    2       -106.17  4.26  P 31       
   123  ---  >32     --      30     1    1       -106.23  5.13  P 32       
   124  ---  >32     --       5     3    3       -106.26  4.52  P 31       
   125  ---  >32     --       5     6    5       -106.29  4.25  P 31       
   126  ---  >32     --       5     4    5       -106.30  4.59  P 31       
   127  ---  >32     --       5     5    3       -106.37  4.15  P 31       
   128  ---  >32     --       4     2    1       -106.43  5.11  P 31       
   129  24    4      --       5     4    6       -106.48  4.60  P 31       
   130  25    4      --      31     1    2       -106.58  5.01  P 31       
   131  ---  >32     --      12     8    3       -106.60  5.18  P 32       
   132  ---  >32     --      31     1    3       -106.64  4.66  P 31       
   133  26    3      --       7     4    2       -106.77  5.15  P 32       
   134  ---  >32     --       7     4    3       -106.83  5.16  P 32       
   135  ---  >32     --       2    19    1       -106.91  9.22  P 31       
   136  ---  >32     --      19     7    3       -106.96  4.40  P 32       
   137  27    0      --      12     3    3       -106.98  4.76  P 32       
   138  ---  >32     --      19     3    1       -107.06  5.23  P 32       
   139  ---  >32     --       8     5    1       -107.07  4.77  P 32       
   140  ---  >32     --       5     2    8       -107.13  3.93  P 31       
   141  ---  >32     --       5    10    5       -107.19  4.99  P 31       
   142  28    2      --       5     7    5       -107.24  4.77  P 31       
   143  ---  >32     --       8     7    3       -107.26  4.64  P 32       
   144  ---  >32     --       7     8    6       -107.41  4.73  P 32       
   145  ---  >32     --      17     7    1       -107.42  9.41  P 32       
   146  29    13     --       8     2    2       -107.47  4.92  P 32       
   147  ---  >32     --       5     5    4       -107.48  4.49  P 31       
   148  ---  >32     --      21    10    2       -107.52  9.39  P 31       
   149  30    3      --       6     6    2       -107.53  5.07  P 32       
   150  ---   28     --       5     5    5       -107.70  3.99  P 31       
   151  ---  >32     --      10     3    2       -107.70  5.30  P 31       
   152  ---  >32     --       8     7    4       -107.71  4.81  P 32       
   153  ---  >32     --      30     1    2       -107.71  5.04  P 32       
   154  ---  >32     --      14     1    1       -107.77  4.94  P 32       
   155  ---  >32     --      12     3    4       -107.88  4.56  P 32       
   156  ---  >32     --      28     1    3       -107.95  5.49  P 31       
   157  ---  >32     --       8     3    1       -107.95  4.45  P 32       
   158  31    0      --       5     5    6       -108.01  4.28  P 31       
   159  ---   27     --      14     3    1       -108.05  4.52  P 32       
   160  ---  >32     --      19     4    2       -108.08  4.22  P 32       
   161  ---  >32     --       7     7    2       -108.26  5.05  P 32       
   162  ---  >32     --       5    10    6       -108.29  4.44  P 31       
   163  32    0      --      22    17    3       -108.35 20.27  P 32       
   164  ---  >32     --       5     6    6       -108.40  4.53  P 31       
   165  33    1      --      25     4    1       -108.52  5.27  P 31       
   166  ---   27     --      10     4    2       -108.55  4.52  P 31       
   167  ---  >32     --       8     7    5       -108.55  4.48  P 32       
   168  ---  >32     --      19     6    3       -108.60  4.85  P 32       
   169  ---  >32     --       5     3    4       -108.63  4.26  P 31       
   170  ---  >32     --      10     1    1       -108.72  4.45  P 31       
   171  ---  >32     --       5     9    2       -108.72  4.23  P 31       
   172  ---  >32     --       8     1    7       -108.80  4.72  P 32       
   173  ---  >32     --      12     4    1       -108.86  4.13  P 32       
   174  ---  >32     --       6     1    1       -108.89  4.08  P 32       
   175  ---  >32     --      12     8    4       -108.90  4.86  P 32       
   176  ---  >32     --      15    16    2       -108.94  9.23  P 31       
   177  ---  >32     --      11     9    1       -108.96  9.17  P 31       
   178  ---  >32     --      12    11    2       -108.99  4.52  P 32       
   179  ---  >32     --      10     1    2       -109.00  4.49  P 31       
   180  ---  >32     --       5     6    7       -109.05  4.10  P 31       
   181  ---  >32     --       5     7    6       -109.08  4.34  P 31       
   182  ---   27     --       5     4    7       -109.09  3.96  P 31       
   183  ---  >32     --      26     8    1       -109.10  9.53  P 31       
   184  ---  >32     --       5     5    7       -109.11  3.96  P 31       
   185  ---  >32     --       8     3    2       -109.15  4.34  P 32       
   186  34    1      --       5     6    8       -109.18  4.35  P 31       
   187  35    4      --      19     2    1       -109.23  4.16  P 32       
   188  36    2      --      12     2    1       -109.28  4.82  P 32       
   189  ---  >32     --       5     3    5       -109.29  4.53  P 31       
   190  ---  >32     --       8     1    8       -109.31  4.31  P 32       
   191  ---  >32     --      16    13    2       -109.40  9.32  P 31       
   192  37    0      --      24     3    1       -109.44  5.11  P 31       
   193  ---  >32     --      13     3    2       -109.45  4.43  P 31       
   194  ---  >32     --       8     8    2       -109.45  4.80  P 32       
   195  ---  >32     --       5     2    9       -109.48  4.63  P 31       
   196  ---  >32     --      11     9    2       -109.49  9.30  P 31       
   197  38    6      --      12     9    1       -109.60  4.97  P 32       
   198  ---  >32     --       5     6    9       -109.62  4.45  P 31       
   199  ---  >32     --      27     7    1       -109.72  9.43  P 31       
   200  39    2      --       5     1    3       -109.77  3.62  P 31       
   201  ---  >32     --      12     1    3       -109.81  4.60  P 32       
   202  ---  >32     --      25     2    1       -109.84  4.30  P 31       
   203  40    0      --      25     4    2       -109.88  5.20  P 31       
   204  41    5      --       5     3    6       -109.90  3.93  P 31       
   205  ---   27     --      12     2    2       -109.94  5.15  P 32       
   206  ---  >32     --      12     1    4       -109.96  4.39  P 32       
   207  ---  >32     --      10     2    1       -110.00  4.70  P 31       
   208  ---  >32     --      12     6    1       -110.08  5.08  P 32       
   209  ---  >32     --      21     1    1       -110.08  5.17  P 31       
   210  ---   23     --      12     4    2       -110.11  5.22  P 32       
   211  ---  >32     --       6     5    2       -110.14  4.69  P 32       
   212  ---  >32     --       5     5    8       -110.19  4.25  P 31       
   213  ---  >32     --      30     1    3       -110.19  4.74  P 32       
   214  ---  >32     --      12     1    5       -110.24  4.45  P 32       
   215  ---  >32     --       6     1    2       -110.27  4.86  P 32       
   216  42    2      --       8     7    6       -110.40  5.20  P 32       
   217  ---  >32     --      31     3    2       -110.49  4.53  P 31       
   218  ---  >32     --      10     6    1       -110.53  4.87  P 31       
   219  43    4      --       8     3    3       -110.55  4.45  P 32       
   220  44    0      --       6     4    1       -110.59  5.96  P 32       
   221  45    2      --       8     1    9       -110.60  4.42  P 32       
   222  46    9      --      19     7    4       -110.60  4.92  P 32       
   223  ---  >32     --       5     6   10       -110.67  4.47  P 31       
   224  ---   18     --       5     6   11       -110.69  4.31  P 31       
   225  ---  >32     --      13     3    3       -110.71  4.36  P 31       
   226  ---  >32     --      12     5    1       -110.75  4.61  P 32       
   227  ---  >32     --      12     1    6       -110.76  4.39  P 32       
   228  ---  >32     --       7     4    4       -110.77  4.43  P 32       
   229  ---  >32     --      19     3    2       -110.81  4.78  P 32       
   230  ---  >32     --       5     5    9       -110.82  4.21  P 31       
   231  ---  >32     --       5     1    4       -110.83  4.16  P 31       
   232  ---  >32     --       5     4    8       -110.87  4.14  P 31       
   233  ---  >32     --      12     2    3       -110.87  4.71  P 32       
   234  ---  >32     --      12     2    4       -110.94  4.46  P 32       
   235  ---  >32     --       4    15    1       -110.95  9.41  P 31       
   236  ---  >32     --      31     2    2       -110.97  4.13  P 31       
   237  ---   21     --      12     9    2       -110.98  5.00  P 32       
   238  ---  >32     --      10     1    3       -110.98  4.31  P 31       
   239  ---  >32     --      12    11    3       -110.99  4.55  P 32       
   240  47    5      --      10     1    4       -110.99  5.03  P 31       
   241  ---  >32     --      12     1    7       -111.01  4.46  P 32       
   242  ---  >32     --      13     2    2       -111.05  4.37  P 31       
   243  ---   23     --      13     2    3       -111.09  4.80  P 31       
   244  ---  >32     --      31     1    4       -111.09  4.33  P 31       
   245  48    2      --      23     1    1       -111.10  4.92  P 32       
   246  ---  >32     --       5    10    7       -111.10  4.49  P 31       
   247  49    10     --      13     1    1       -111.11  4.51  P 31       
   248  ---  >32     --       5     9    3       -111.12  4.07  P 31       
   249  ---  >32     --      19     1    4       -111.13  4.64  P 32       
   250  ---  >32     --       7     6    2       -111.13  4.57  P 32       
   251  50    2      --      12     2    5       -111.15  4.26  P 32       
   252  ---  >32     --       5     8    2       -111.16  4.34  P 31       
   253  ---  >32     --      12     3    5       -111.16  4.79  P 32       
   254  ---  >32     --      13    20    2       -111.20  9.34  P 31       
   255  ---  >32     --      19     1    5       -111.24  4.17  P 32       
   256  51    4      --      19     4    3       -111.27  4.27  P 32       
   257  52    9      --       1     5    1       -111.31  5.48  P 31       
   258  53    0      --       5     2   10       -111.31  3.96  P 31       
   259  ---   31     --      12    11    4       -111.33  5.01  P 32       
   260  ---  >32     --       5     6   12       -111.34  4.56  P 31       
   261  ---  >32     --       5     1    5       -111.34  3.78  P 31       
   262  ---  >32     --       5    10    8       -111.35  4.35  P 31       
   263  ---   15     --       8     3    4       -111.35  4.14  P 32       
   264  ---  >32     --      12     8    5       -111.36  4.85  P 32       
   265  ---  >32     --       6     7    1       -111.38  4.40  P 32       
   266  ---   16     --       5     5   10       -111.42  4.09  P 31       
   267  ---  >32     --      31     1    5       -111.43  4.84  P 31       
   268  ---  >32     --      12    11    5       -111.56  4.88  P 32       
   269  ---  >32     --      25     4    3       -111.57  4.71  P 31       
   270  ---  >32     --      19     4    4       -111.60  4.22  P 32       
   271  ---  >32     --       7     1    1       -111.62  4.66  P 32       
   272  ---  >32     --      26     8    2       -111.66  9.76  P 31       
   273  ---  >32     --      19     6    4       -111.67  4.35  P 32       
   274  ---  >32     --       5     6   13       -111.71  4.48  P 31       
   275  ---  >32     --       5     9    4       -111.72  4.73  P 31       
   276  54    5      --       6     2    1       -111.73  5.60  P 32       
   277  ---  >32     --       6     1    3       -111.75  4.48  P 32       
   278  ---  >32     --       8     4    1       -111.76  4.23  P 32       
   279  ---  >32     --      13     3    4       -111.79  4.66  P 31       
   280  ---  >32     --       8     1   10       -111.79  4.22  P 32       
   281  55    2      --       8     2    3       -111.81  4.68  P 32       
   282  ---  >32     --      19     6    5       -111.92  4.84  P 32       
   283  ---  >32     --       8     1   11       -111.92  4.23  P 32       
   284  ---  >32     --       8     1   12       -111.94  4.28  P 32       
   285  ---  >32     --       7     4    5       -111.99  4.65  P 32       
   286  ---  >32     --       8     4    2       -111.99  4.33  P 32       
   287  ---  >32     --       5     5   11       -112.06  4.09  P 31       
   288  ---  >32     --       6     6    3       -112.16  4.47  P 32       
   289  ---   12     --      19     4    5       -112.17  4.76  P 32       
   290  ---  >32     --       5     2   11       -112.21  4.28  P 31       
   291  ---  >32     --      10     2    2       -112.22  4.80  P 31       
   292  ---  >32     --       5     5   12       -112.24  4.35  P 31       
   293  ---  >32     --      12     7    2       -112.24  5.09  P 32       
   294  ---  >32     --       2    19    2       -112.26  9.28  P 31       
   295  ---  >32     --      12     1    8       -112.27  4.52  P 32       
   296  ---  >32     --       5    10    9       -112.50  4.62  P 31       
   297  56    3      --       8     1   13       -112.51  4.21  P 32       
   298  ---  >32     --       6     6    4       -112.56  4.67  P 32       
   299  ---  >32     --      12     1    9       -112.57  4.25  P 32       
   300  57    4      --       8     4    3       -112.59  4.48  P 32       
   301  ---  >32     --       5     2   12       -112.59  4.35  P 31       
   302  ---   16     --      31     1    6       -112.61  4.44  P 31       
   303  58    5      --      12     2    6       -112.61  4.71  P 32       
   304  ---  >32     --      12     1   10       -112.62  4.35  P 32       
   305  ---  >32     --       8     3    5       -112.62  4.08  P 32       
   306  ---  >32     --       6     1    4       -112.69  4.67  P 32       
   307  59    10     --       1     5    2       -112.76  5.45  P 31       
   308  ---  >32     --       6     3    1       -112.77  4.42  P 32       
   309  ---  >32     --       5     2   13       -112.80  3.79  P 31       
   310  60    12     --      18     1    3       -112.83  4.32  P 31       
   311  ---  >32     --      12     9    3       -112.85  4.62  P 32       
   312  ---  >32     --      10     7    1       -112.88  4.40  P 31       
   313  ---  >32     --       5     3    7       -112.89  4.45  P 31       
   314  ---  >32     --       5     1    6       -112.89  3.64  P 31       
   315  ---  >32     --      18     1    4       -112.89  4.53  P 31       
   316  ---  >32     --      31     3    3       -112.89  4.46  P 31       
   317  ---  >32     --       5     6   14       -112.90  4.42  P 31       
   318  ---  >32     --       5    10   10       -112.90  4.09  P 31       
   319  ---  >32     --      13     3    5       -112.96  4.46  P 31       
   320  ---  >32     --       5     9    5       -112.97  3.92  P 31       
   321  61    0      --       5     7    7       -113.00  4.25  P 31       
   322  ---  >32     --       5     7    8       -113.00  4.45  P 31       
   323  ---  >32     --       6     7    2       -113.01  5.02  P 32       
   324  ---   21     --      24     1    2       -113.02  4.60  P 31       
   325  ---  >32     --       5     7    9       -113.03  4.14  P 31       
   326  62    16     --      12     2    7       -113.03  4.85  P 32       
   327  ---  >32     --       5     8    3       -113.03  4.43  P 31       
   328  ---  >32     --      12    11    6       -113.03  4.70  P 32       
   329  63    0      --      10     1    5       -113.03  4.70  P 31       
   330  ---  >32     --       4     1    1       -113.06  4.59  P 31       
   331  ---  >32     --       5     3    8       -113.10  4.48  P 31       
   332  ---  >32     --      10     4    3       -113.13  4.82  P 31       
   333  ---  >32     --       5     5   13       -113.17  3.99  P 31       
   334  ---  >32     --       5     3    9       -113.20  4.49  P 31       
   335  ---  >32     --       5     3   10       -113.21  4.24  P 31       
   336  ---  >32     --      12     5    2       -113.22  4.73  P 32       
   337  ---  >32     --       5     4    9       -113.22  4.16  P 31       
   338  ---  >32     --       5     2   14       -113.22  4.20  P 31       
   339  ---  >32     --      19     2    2       -113.24  4.33  P 32       
   340  ---  >32     --       7     3    1       -113.25  4.48  P 32       
   341  ---  >32     --       5     1    7       -113.26  3.35  P 31       
   342  ---  >32     --       5     5   14       -113.27  3.97  P 31       
   343  ---   20     --      10     1    6       -113.27  5.00  P 31       
   344  64    0      --       7    43    3       -113.30 20.06  P 32       
   345  65    13     --      25     3    1       -113.33  5.08  P 31       
   346  ---   20     --       8     7    7       -113.36  4.59  P 32       
   347  ---  >32     --       5     1    8       -113.37  3.49  P 31       
   348  ---  >32     --       6     4    2       -113.38  4.60  P 32       
   349  ---  >32     --      10     4    4       -113.45  4.37  P 31       
   350  ---   30     --      10     3    3       -113.45  4.44  P 31       
   351  ---  >32     --       6     1    5       -113.45  4.54  P 32       
   352  ---  >32     --      12     4    3       -113.47  4.39  P 32       
   353  ---  >32     --      31     2    3       -113.48  4.29  P 31       
   354  ---   30     --       7     3    2       -113.51  4.70  P 32       
   355  66    2      --      19     1    6       -113.52  4.84  P 32       
   356  ---  >32     --       7     8    7       -113.52  4.86  P 32       
   357  67    12     --       7     4    6       -113.53  4.32  P 32       
   358  68    1      --       5     7   10       -113.54  4.18  P 31       
   359  ---  >32     --       5     8    4       -113.55  4.56  P 31       
   360  ---   21     --       5     2   15       -113.56  3.88  P 31       
   361  ---  >32     --       6     1    6       -113.58  4.31  P 32       
   362  ---  >32     --      12     6    2       -113.60  4.19  P 32       
   363  ---  >32     --       5     3   11       -113.61  4.14  P 31       
   364  ---  >32     --       5     3   12       -113.61  4.02  P 31       
   365  ---  >32     --       7     4    7       -113.62  4.11  P 32       
   366  69    8      --      31     5    2       -113.66  5.18  P 31       
   367  70    7      --       8     2    4       -113.68  5.03  P 32       
   368  ---   28     --       5     9    6       -113.70  3.84  P 31       
   369  ---  >32     --      10     1    7       -113.77  4.43  P 31       
   370  ---  >32     --       6     1    7       -113.79  4.52  P 32       
   371  ---  >32     --       7     5    1       -113.80  4.33  P 32       
   372  ---  >32     --       5     3   13       -113.82  4.07  P 31       
   373  ---  >32     --       5     1    9       -113.85  3.85  P 31       
   374  71    0      --      28     2    1       -113.86  4.98  P 31       
   375  ---  >32     --       8     3    6       -113.89  4.30  P 32       
   376  ---  >32     --      19     2    3       -113.90  4.37  P 32       
   377  ---  >32     --      25     1    1       -113.97  4.57  P 31       
   378  ---  >32     --       7     1    2       -114.03  4.18  P 32       
   379  ---  >32     --      31     2    4       -114.03  4.13  P 31       
   380  ---  >32     --      31     3    4       -114.05  4.24  P 31       
   381  ---  >32     --      12     3    6       -114.07  4.30  P 32       
   382  72    2      --      12     3    7       -114.07  5.02  P 32       
   383  ---   28     --      10     4    5       -114.10  4.56  P 31       
   384  ---  >32     --       5     2   16       -114.13  3.93  P 31       
   385  ---  >32     --       5     1   10       -114.16  3.85  P 31       
   386  ---  >32     --       5    10   11       -114.17  4.30  P 31       
   387  ---   31     --       6     1    8       -114.18  4.21  P 32       
   388  73    0      --      10     2    3       -114.19  4.60  P 31       
   389  ---  >32     --      12     7    3       -114.23  5.45  P 32       
   390  ---  >32     --      19     5    1       -114.23  4.44  P 32       
   391  ---  >32     --       8     1   14       -114.24  4.00  P 32       
   392  ---  >32     --       5     2   17       -114.26  4.21  P 31       
   393  ---   22     --       5     7   11       -114.37  3.96  P 31       
   394  74    5      --       6     6    5       -114.37  4.78  P 32       
   395  ---  >32     --       5     6   15       -114.37  4.17  P 31       
   396  ---  >32     --       7     2    3       -114.42  4.72  P 32       
   397  ---  >32     --      10     5    1       -114.43  4.15  P 31       
   398  ---  >32     --       5     6   16       -114.45  4.06  P 31       
   399  ---  >32     --      12     3    8       -114.51  4.52  P 32       
   400  ---   19     --       5     2   18       -114.51  4.23  P 31       
   401  ---  >32     --      19     5    2       -114.53  4.49  P 32       
   402  ---  >32     --      31     1    7       -114.55  4.52  P 31       
   403  ---   24     --       5     9    7       -114.56  3.96  P 31       
   404  75    3      --       7     8    8       -114.56  4.53  P 32       
   405  ---  >32     --       5     8    5       -114.56  4.59  P 31       
   406  ---  >32     --       4     1    2       -114.57  4.84  P 31       
   407  ---  >32     --       5     7   12       -114.57  3.99  P 31       
   408  ---   22     --       7     4    8       -114.58  4.44  P 32       
   409  76    2      --      19     2    4       -114.60  4.50  P 32       
   410  ---  >32     --       8     1   15       -114.62  4.20  P 32       
   411  ---  >32     --       7     8    9       -114.64  4.69  P 32       
   412  ---  >32     --      12     6    3       -114.66  4.72  P 32       
   413  ---  >32     --      31     3    5       -114.67  4.21  P 31       
   414  ---  >32     --       8     2    5       -114.70  4.45  P 32       
   415  77    2      --       5     1   11       -114.71  3.99  P 31       
   416  ---  >32     --       8     7    8       -114.73  4.55  P 32       
   417  ---  >32     --       8     4    4       -114.74  4.78  P 32       
   418  78    0      --      14    26    3       -115.66 18.81  P 32       
   419  79    0      --      22    17    4       -117.36 19.94  P 32       
   420  80    0      --       3    15    3       -117.57 19.85  P 32       
   421  81    0      --      10    33    3       -117.83 19.49  P 31       
   422  82    0      --       6    38    3       -118.49 20.26  P 32       
   423  83    0      --      18    16    3       -121.34 20.35  P 31       
   424  84    0      --       1     8    2       -121.92 20.09  P 31       
   425  85    0      --       6    38    4       -124.56 20.07  P 32       
   426  86    0      --      23    14    3       -125.03 19.51  P 32       
   427  87    0      --       2    19    3       -125.41 19.75  P 31       
   428  88    0      --      19    38    3       -125.49 19.89  P 32       
   429  89    0      --      14    26    4       -125.87 18.72  P 32       
   430  90    0      --       7    43    4       -126.63 19.71  P 32       
   431  91    0      --       5    41    3       -127.84 19.86  P 31       
   432  92    0      --      18    16    4       -128.92 19.63  P 31       
   433  93    0      --      10    33    4       -129.16 19.25  P 31       
   434  94    0      --       1     8    4       -129.50 19.71  P 31       
   435  95    0      --       2    19    4       -129.82 19.53  P 31       
   436  96    0      --      19    38    4       -131.24 19.76  P 32       
   437  97    0      --       8    38    3       -131.53 19.85  P 32       
   438  98    0      --       3    15    4       -136.32 19.47  P 32       
   439  99    0      --      23    14    4       -137.86 19.26  P 32       
   440  100   0      --       8    38    4       -138.80 19.56  P 32       
   441  101   0      --       5    41    4       -139.74 19.42  P 31       
   442  102   0      --      24    20    3       -142.54 18.98  P 31       
   443  103   0      --      30    12    3       -144.93 19.47  P 32       
   444  104   0      --      21    10    3       -144.94 19.25  P 31       
   445  105   0      --      12    54    3       -146.45 19.49  P 32       
   446  106   0      --      27     7    3       -147.10 19.05  P 31       
   447  107   0      --      25    31    3       -149.73 19.05  P 31       
   448  108   0      --      24    20    4       -150.13 18.65  P 31       
   449  109   0      --      13    20    3       -151.15 19.73  P 31       
   450  110   0      --      16    13    3       -151.77 18.89  P 31       
   451  111   0      --      20     2    3       -152.52 19.37  P 31       
   452  112   0      --      31    35    3       -153.34 18.95  P 31       
   453  113   0      --      12    54    4       -153.46 19.20  P 32       
   454  114   0      --      27     7    4       -154.48 18.68  P 31       
   455  115   0      --      21    10    4       -154.51 18.91  P 31       
   456  116   0      --      30    12    4       -155.27 19.09  P 32       
   457  117   0      --      16    13    4       -155.73 19.04  P 31       
   458  118   0      --      31    35    4       -158.49 18.75  P 31       
   459  119   0      --      15    16    3       -159.85 19.05  P 31       
   460  120   0      --       4    15    3       -159.93 18.09  P 31       
   461  121   0      --      15    16    4       -160.34 18.94  P 31       
   462  122   0      --      20     2    4       -161.50 19.10  P 31       
   463  123   0      --      29     4    3       -161.87 18.58  P 31       
   464  124   0      --      13    20    4       -162.12 19.38  P 31       
   465  125   0      --      11     9    3       -163.66 18.29  P 31       
   466  126   0      --       9     3    3       -163.90 19.58  P 31       
   467  127   0      --      17     7    3       -164.75 18.94  P 32       
   468  128   0      --      25    31    4       -165.17 18.54  P 31       
   469  129   0      --       9     3    4       -165.56 19.42  P 31       
   470  130   0      --      28    17    3       -165.88 18.56  P 31       
   471  131   0      --      26     8    3       -167.10 19.05  P 31       
   472  132   0      --      17     7    4       -168.85 18.71  P 32       
   473  133   0      --       4    15    4       -169.43 17.85  P 31       
   474  134   0      --      32     8    3       -169.63 18.26  P 32       
   475  135   0      --      11     9    4       -172.91 17.88  P 31       
   476  136   0      --      26     8    4       -172.93 18.83  P 31       
   477  137   0      --      29     4    4       -173.86 18.38  P 31       
   478  138   0      --      28    17    4       -176.64 18.31  P 31       
   479  139   0      --      32     8    4       -181.39 17.88  P 32       

   139 accepted of 479 solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 15 mins 39.81 secs (    939.81 secs)
Finished: Thu Apr 21 17:58:33 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Search: Only parameters of last component will be refined

CPU Time: 0 days 0 hrs 15 mins 39.81 secs (    939.81 secs)
Finished: Thu Apr 21 17:58:33 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING             2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   High resolution limit imposed by solution list =  3.94

   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   3.94  34.48 (3045)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (3045)
                               - half number of centrics (0/2)
                             = -3045
   With correction for SigF,
      Wilson log(likelihood) = -2338.84

----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION      : REFINE
   TRANSLATION   : REFINE
   BFACTOR       : REFINE
   MODEL VRMS    : FIX
   MAP CELL SCALE: FIX
   MAP OFACTOR   : FIX
   LAST ONLY     : TRUE

   There are 139 solutions to refine
   Spreading calculation onto 2 threads.
   Refining solutions
   0%                                                                     100%
   |=======================================================================| DONE


   REFINING SET #1 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.5  116.4  247.8 FRAC -0.26  0.21  0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   89.5  116.4  247.8 FRAC -0.03  0.26 -0.28 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -86.044               -10.399                75.645

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #2 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC  0.63  0.78  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.37  0.28 -0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -88.353               -20.750                67.603

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.63  0.79  0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   28.1   86.1   49.2 FRAC -0.37  0.28 -0.00 BFAC
    25.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #3 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   89.5  116.4  247.8 FRAC -0.03  0.26 -0.28 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  209.5  116.4  247.8 FRAC -0.26  0.21  0.05 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -88.516               -10.399                78.116

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   89.2  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.06
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #4 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC  0.67  0.74  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.33  0.24 -0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -92.523               -13.807                78.716

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #5 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.8  106.0  218.5 FRAC -0.35 -0.03 -0.08 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   18.8  106.0  218.5 FRAC -0.35  0.48 -0.09 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -90.424               -14.878                75.546

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC -0.35 -0.03 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   18.0  105.0  219.3 FRAC -0.35  0.47 -0.09 BFAC
    25.28
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #6 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  208.3  161.4  331.4 FRAC -0.11  0.31 -0.26 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.31  0.09  0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -91.735               -22.824                68.911

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  214.0  160.2  337.5 FRAC -0.11  0.30 -0.26 BFAC
    23.76
   SOLU 6DIM ENSE ensemble1 EULER  334.6  161.6  338.0 FRAC -0.31  0.09  0.07 BFAC
    23.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #7 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.48  0.21  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.49  0.71  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -94.543               -26.219                68.324

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #8 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC -0.34  0.37 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC -0.34  0.87 -0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -96.859               -12.797                84.062

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #9 OF 139
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC  0.79  0.62  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.21  0.12 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -97.188               -20.516                76.672

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   29.3   85.6   49.1 FRAC  0.79  0.62 -0.00 BFAC
    25.19
   SOLU 6DIM ENSE ensemble1 EULER   27.0   85.7   47.8 FRAC -0.21  0.12 -0.00 BFAC
    25.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #10 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.35  0.13  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.35  0.63  0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -96.289               -29.384                66.906

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  329.9  160.9  334.6 FRAC -0.35  0.14  0.07 BFAC
    23.68
   SOLU 6DIM ENSE ensemble1 EULER  332.0  160.3  337.4 FRAC -0.35  0.64  0.07 BFAC
    23.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #11 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.18 -0.03  0.08 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.18  0.47  0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -97.850               -28.853                68.997

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  330.2  160.5  335.1 FRAC -0.18 -0.03  0.08 BFAC
    24.09
   SOLU 6DIM ENSE ensemble1 EULER  335.1  160.2  340.4 FRAC -0.19  0.47  0.07 BFAC
    24.09
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #12 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC  0.66  0.87 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC  0.66  1.37 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -100.617               -12.431                88.185

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  359.4  159.5    2.8 FRAC  0.66  0.87 -0.03 BFAC
    24.02
   SOLU 6DIM ENSE ensemble1 EULER    1.7  156.3    3.1 FRAC  0.66  1.37 -0.03 BFAC
    24.02
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #13 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC -0.37  0.28  0.11 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   13.5   77.1   47.2 FRAC  0.16  0.37 -0.23 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 14 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
         -99.204               -16.869                82.335

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  130.7   75.5   48.3 FRAC -0.36  0.30  0.10 BFAC
    24.30
   SOLU 6DIM ENSE ensemble1 EULER   11.5   75.1   47.3 FRAC  0.16  0.36 -0.23 BFAC
    24.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #14 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC -0.33  0.61 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC -0.33  1.12 -0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -101.995               -28.076                73.919

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #15 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC  0.44  0.84 -0.13 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  231.3  157.9  355.2 FRAC -0.11  0.56  0.19 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -101.200               -28.318                72.882

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  353.6  157.8  358.0 FRAC  0.44  0.84 -0.14 BFAC
    25.01
   SOLU 6DIM ENSE ensemble1 EULER  231.2  158.7  354.5 FRAC -0.10  0.56  0.19 BFAC
    25.01
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #16 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC  0.69  1.22  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.31  0.72 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -104.013               -22.489                81.524

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.7   84.1   49.0 FRAC  0.69  1.22 -0.01 BFAC
    25.23
   SOLU 6DIM ENSE ensemble1 EULER   30.3   84.3   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.23
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #17 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.21  0.12 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.21 -0.38 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -103.039               -20.135                82.904

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   27.4   85.4   46.9 FRAC -0.21  0.12 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER   29.9   85.4   48.4 FRAC -0.21 -0.38 -0.00 BFAC
    25.37
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #18 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC -0.33  0.26  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC -0.33 -0.24  0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -103.140               -21.273                81.867

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC -0.33  0.26  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  129.5   74.1   49.1 FRAC -0.33 -0.24  0.03 BFAC
    25.37
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #19 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.33  0.23  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.33 -0.27 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -105.114               -13.820                91.294

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.2 FRAC -0.33  0.24  0.00 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   27.0   87.5   46.9 FRAC -0.33 -0.26  0.00 BFAC
    24.72
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #20 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  253.3   23.6  167.1 FRAC  0.61  1.16  0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   13.3   23.6  167.1 FRAC  0.34  0.94 -0.29 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -105.758               -28.956                76.802

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  259.7   21.9  161.6 FRAC  0.61  1.16  0.05 BFAC
    24.43
   SOLU 6DIM ENSE ensemble1 EULER   18.5   22.7  162.9 FRAC  0.34  0.94 -0.28 BFAC
    24.43
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #21 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.47  0.87  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.47  1.37  0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -105.293               -37.365                67.928

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  189.3  127.8  344.3 FRAC  0.47  0.87  0.04 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER  188.1  128.5  344.6 FRAC  0.47  1.37  0.04 BFAC
    24.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #22 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.56  0.73 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.56  1.23 -0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -105.656               -27.783                77.874

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  131.5   78.5   44.3 FRAC  0.56  0.73 -0.04 BFAC
    22.78
   SOLU 6DIM ENSE ensemble1 EULER  131.3   77.2   46.0 FRAC  0.56  1.23 -0.04 BFAC
    22.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #23 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.1   94.7  230.3 FRAC -0.37  0.09  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  268.1   94.7  230.3 FRAC -0.04  0.37 -0.27 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -105.473               -26.333                79.140

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #24 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   13.5   77.1   47.2 FRAC  0.15  0.36 -0.23 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   13.5   77.1   47.2 FRAC -0.35  0.36 -0.24 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -104.970               -16.848                88.123

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   11.4   75.2   47.2 FRAC  0.16  0.36 -0.23 BFAC
    24.25
   SOLU 6DIM ENSE ensemble1 EULER   10.5   75.7   48.2 FRAC -0.34  0.36 -0.23 BFAC
    24.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #25 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.43  0.34  0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.43  0.84  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -104.568               -35.302                69.266

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER   39.7   76.0   46.8 FRAC -0.43  0.35  0.04 BFAC
    24.43
   SOLU 6DIM ENSE ensemble1 EULER   37.7   75.0   47.3 FRAC -0.44  0.85  0.04 BFAC
    24.43
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #26 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  253.5   77.1   47.2 FRAC -0.03  0.58 -0.22 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  253.5   77.1   47.2 FRAC  0.46  1.08 -0.23 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -106.598               -31.981                74.618

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  252.9   77.8   46.0 FRAC -0.04  0.58 -0.23 BFAC
    25.40
   SOLU 6DIM ENSE ensemble1 EULER  253.5   78.0   45.1 FRAC  0.46  1.08 -0.23 BFAC
    25.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #27 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.33  0.62  0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.33  1.12  0.05 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -107.530               -26.881                80.649

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #28 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.8  106.0  218.5 FRAC -0.44  0.29  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   18.8  106.0  218.5 FRAC -0.44 -0.21  0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -105.893               -13.726                92.166

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #29 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC  0.49  0.37 -0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC  0.49  0.87 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -106.833               -26.099                80.734

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #30 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  231.3  157.9  355.2 FRAC  0.38  1.18  0.30 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC -0.18  0.70 -0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -107.291               -21.290                86.001

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  238.8  158.5    1.2 FRAC  0.38  1.18  0.30 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  357.2  160.8  359.6 FRAC -0.18  0.70 -0.03 BFAC
    24.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #31 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  290.3  105.3  224.9 FRAC -0.23  0.30  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  170.3  105.3  224.9 FRAC  0.03  0.23 -0.30 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -107.513               -32.915                74.598

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  291.4  107.7  225.8 FRAC -0.23  0.30  0.04 BFAC
    24.85
   SOLU 6DIM ENSE ensemble1 EULER  170.5  106.8  224.8 FRAC  0.03  0.23 -0.30 BFAC
    24.85
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #32 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC -0.28  0.58 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.5  105.5  138.3 FRAC -0.08  0.64 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -108.538                32.313               140.851

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  270.7  104.4  136.9 FRAC -0.28  0.60 -0.00 BFAC
    21.87
   SOLU 6DIM ENSE ensemble1 EULER   28.7  108.3  136.6 FRAC -0.10  0.62 -0.34 BFAC
    21.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #33 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.43  0.33  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.43 -0.17 -0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.156               -31.766                77.390

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER   29.5   85.3   47.2 FRAC -0.43  0.33 -0.00 BFAC
    24.62
   SOLU 6DIM ENSE ensemble1 EULER   28.5   84.3   49.1 FRAC -0.43 -0.17 -0.01 BFAC
    24.62
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #34 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.5  116.4  247.8 FRAC  0.74  0.71 -0.08 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  209.5  116.4  247.8 FRAC -0.26  0.21 -0.09 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -108.745               -32.762                75.983

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.8  115.8  249.0 FRAC  0.74  0.71 -0.09 BFAC
    25.79
   SOLU 6DIM ENSE ensemble1 EULER  208.9  114.9  247.2 FRAC -0.26  0.21 -0.09 BFAC
    25.79
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #35 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.58  0.53  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.58  0.03  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.640               -30.020                79.620

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  134.8   77.8   46.4 FRAC  0.58  0.53  0.07 BFAC
    24.79
   SOLU 6DIM ENSE ensemble1 EULER  135.2   78.3   48.1 FRAC  0.58  0.03  0.06 BFAC
    24.79
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #36 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.29  0.73 -0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.29  0.23 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.064               -24.504                84.560

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #37 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC  0.71  0.91 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.29  0.41 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -108.895               -29.729                79.166

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER   26.0   84.4   45.5 FRAC  0.71  0.91 -0.01 BFAC
    25.57
   SOLU 6DIM ENSE ensemble1 EULER   26.4   86.0   45.6 FRAC -0.29  0.41 -0.01 BFAC
    25.57
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #38 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   29.3   81.5   58.8 FRAC -0.23  0.71 -0.11 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   29.3   81.5   58.8 FRAC -0.23  1.21 -0.12 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 19 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.110               -17.045                92.065

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #39 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.48  0.71  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.48  0.21  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.736               -26.224                83.512

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.07
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #40 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC  0.57  0.84  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.43  0.34 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 15 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -110.612               -31.769                78.843

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER   28.5   84.4   49.1 FRAC  0.57  0.83 -0.01 BFAC
    24.56
   SOLU 6DIM ENSE ensemble1 EULER   29.6   85.3   47.3 FRAC -0.43  0.33 -0.00 BFAC
    24.56
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #41 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  276.3   77.2   47.6 FRAC -0.05  0.30 -0.28 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.30  0.15  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 20 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.263               -11.398                99.865

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  281.1   72.9   41.9 FRAC -0.03  0.32 -0.28 BFAC
    23.78
   SOLU 6DIM ENSE ensemble1 EULER   41.1   72.5   41.9 FRAC -0.32  0.15  0.05 BFAC
    23.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #42 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.38  0.29 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.37 -0.21 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.119               -16.530                94.589

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   30.6   84.3   48.8 FRAC -0.37  0.28 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   31.2   81.4   48.4 FRAC -0.37 -0.22 -0.01 BFAC
    24.72
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #43 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  290.3  105.3  224.9 FRAC -0.46  0.40 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  290.3  105.3  224.9 FRAC -0.46 -0.10 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.256               -39.177                72.079

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  290.0  103.9  225.6 FRAC -0.45  0.40 -0.03 BFAC
    25.67
   SOLU 6DIM ENSE ensemble1 EULER  289.7  103.8  225.4 FRAC -0.45 -0.10 -0.03 BFAC
    25.67
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #44 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.75  1.22  0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  253.5   77.1   47.2 FRAC  0.28  1.03 -0.31 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.163               -30.410                78.753

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  132.3   78.8   44.4 FRAC  0.75  1.23  0.03 BFAC
    25.69
   SOLU 6DIM ENSE ensemble1 EULER  254.0   79.7   44.3 FRAC  0.27  1.02 -0.30 BFAC
    25.69
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #45 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.44  0.77  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.44  0.27  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.475               -34.593                76.882

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  187.6  128.9  342.1 FRAC  0.44  0.76  0.04 BFAC
    24.74
   SOLU 6DIM ENSE ensemble1 EULER  189.4  127.9  342.9 FRAC  0.44  0.26  0.04 BFAC
    24.74
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #46 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   88.3  161.4  331.4 FRAC  0.53  0.35 -0.25 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.18 -0.03  0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.946               -28.887                81.059

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   95.4  160.1  340.3 FRAC  0.53  0.34 -0.26 BFAC
    23.82
   SOLU 6DIM ENSE ensemble1 EULER  330.5  160.4  335.0 FRAC -0.18 -0.03  0.08 BFAC
    23.82
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #47 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.78  0.66 -0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.78  1.16 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.248               -12.318                96.930

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.79  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC  0.78  1.15 -0.02 BFAC
    23.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #48 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.49  0.70 -0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.49  0.20 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -110.106               -20.762                89.345

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #49 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.23 -0.02  0.09 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.23  0.48  0.08 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 17 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.812               -29.328                82.483

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #50 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.34  0.75  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.34  0.25  0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -109.792               -31.197                78.595

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   35.5   74.6   44.9 FRAC -0.35  0.75  0.01 BFAC
    24.30
   SOLU 6DIM ENSE ensemble1 EULER   34.6   75.7   46.8 FRAC -0.35  0.25  0.00 BFAC
    24.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #51 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  290.3  105.3  224.9 FRAC  0.71  0.73 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  290.3  105.3  224.9 FRAC  0.71  0.23 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.512               -34.740                76.772

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  290.9  103.8  225.0 FRAC  0.70  0.73 -0.03 BFAC
    25.70
   SOLU 6DIM ENSE ensemble1 EULER  290.4  104.7  225.4 FRAC  0.71  0.23 -0.03 BFAC
    25.70
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #52 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.18  0.78  0.08 BFAC 
    0.06
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.18  0.28  0.07 BFAC 
    0.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.690               -32.509                79.181

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  334.8  160.2  339.2 FRAC -0.19  0.78  0.07 BFAC
    23.04
   SOLU 6DIM ENSE ensemble1 EULER  331.3  161.0  335.4 FRAC -0.19  0.28  0.07 BFAC
    23.04
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #53 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.34  0.14  0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  268.3   86.6   48.0 FRAC -0.02  0.34 -0.28 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 19 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -110.371               -24.155                86.215

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #54 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.18  0.53  0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.18  1.03  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 12 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.522               -28.146                83.377

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER   38.1   81.3   47.8 FRAC -0.17  0.54  0.04 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   37.6   79.8   48.0 FRAC -0.17  1.04  0.04 BFAC
    24.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #55 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.51  0.17 -0.08 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  276.3   77.2   47.6 FRAC  0.17  0.51  0.24 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.634               -34.287                77.347

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   36.6   75.5   46.1 FRAC -0.51  0.17 -0.08 BFAC
    25.49
   SOLU 6DIM ENSE ensemble1 EULER  276.0   75.6   47.2 FRAC  0.17  0.51  0.25 BFAC
    25.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #56 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.40  0.02  0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.40  0.52  0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.572               -30.064                81.508

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  190.1  126.3  345.0 FRAC -0.39  0.02  0.02 BFAC
    25.19
   SOLU 6DIM ENSE ensemble1 EULER  189.6  126.0  344.6 FRAC -0.39  0.52  0.02 BFAC
    25.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #57 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  253.5   77.1   47.2 FRAC -0.15  0.32 -0.23 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  253.5   77.1   47.2 FRAC  0.35  0.82 -0.23 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.679               -35.255                78.424

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  250.9   77.3   47.8 FRAC -0.15  0.32 -0.23 BFAC
    25.73
   SOLU 6DIM ENSE ensemble1 EULER  251.2   79.1   48.3 FRAC  0.35  0.82 -0.23 BFAC
    25.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #58 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  276.3   77.2   47.6 FRAC  0.38  1.31  0.25 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  276.3   77.2   47.6 FRAC -0.12  1.31  0.25 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.970               -28.116                83.854

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  279.5   77.1   43.4 FRAC  0.38  1.30  0.25 BFAC
    24.46
   SOLU 6DIM ENSE ensemble1 EULER  279.0   77.3   44.6 FRAC -0.12  1.30  0.25 BFAC
    24.46
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #59 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.19  0.28  0.08 BFAC 
    0.06
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.19  0.78  0.07 BFAC 
    0.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 6 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -112.529               -32.510                80.020

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  331.1  161.0  335.3 FRAC -0.19  0.28  0.07 BFAC
    23.19
   SOLU 6DIM ENSE ensemble1 EULER  334.6  160.2  339.1 FRAC -0.19  0.78  0.07 BFAC
    23.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #60 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.89  1.30 -0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.89  0.80 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.739               -34.529                77.210

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  187.2  125.8  341.8 FRAC  0.89  1.30 -0.01 BFAC
    25.97
   SOLU 6DIM ENSE ensemble1 EULER  186.2  125.7  341.9 FRAC  0.89  0.80 -0.01 BFAC
    25.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #61 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.8  106.0  218.5 FRAC -0.45  0.15  0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  258.8  106.0  218.5 FRAC  0.10  0.45 -0.32 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 8 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.235               -29.346                83.890

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #62 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  276.3   77.2   47.6 FRAC  0.45  1.22  0.27 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.22  0.73 -0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -112.065               -22.774                89.290

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.9   72.5   50.3 FRAC  0.45  1.21  0.27 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER   37.4   72.7   49.0 FRAC -0.21  0.73 -0.07 BFAC
    25.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #63 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.14  0.42 -0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.13  0.92 -0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 14 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -111.547               -20.876                90.671

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #64 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC -0.40  0.45  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   33.0  108.3  140.4 FRAC  0.05  0.65 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 18 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -112.996                43.557               156.553

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  276.5  105.6  140.2 FRAC -0.41  0.43 -0.00 BFAC
    22.16
   SOLU 6DIM ENSE ensemble1 EULER   36.3  107.3  137.4 FRAC  0.06  0.66 -0.34 BFAC
    22.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #65 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC  0.43  0.42 -0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC  0.43  0.92 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -112.709               -31.909                80.800

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER   37.9   80.1   48.6 FRAC  0.43  0.41 -0.02 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   37.0   79.8   48.6 FRAC  0.43  0.91 -0.02 BFAC
    25.28
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #66 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.60  0.09  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC  0.60  0.59  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -114.846               -33.661                81.185

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  187.7  128.7  342.0 FRAC  0.61  0.10  0.04 BFAC
    25.57
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.2  343.2 FRAC  0.60  0.60  0.04 BFAC
    25.57
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #67 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.56  1.23 -0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.56  0.73 -0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.803               -27.777                86.025

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  131.3   77.1   46.0 FRAC  0.56  1.23 -0.04 BFAC
    22.75
   SOLU 6DIM ENSE ensemble1 EULER  131.5   78.4   44.3 FRAC  0.56  0.73 -0.04 BFAC
    22.75
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #68 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.8  106.0  218.5 FRAC -0.44  0.04  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   18.8  106.0  218.5 FRAC -0.44  0.54  0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 9 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -112.505               -34.262                78.242

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   20.0  106.0  219.8 FRAC -0.44  0.04  0.01 BFAC
    26.53
   SOLU 6DIM ENSE ensemble1 EULER   18.8  107.7  218.8 FRAC -0.44  0.54  0.01 BFAC
    26.53
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #69 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.40  0.48  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  328.3  161.4  331.4 FRAC -0.40  0.98  0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.293               -31.461                81.832

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  340.8  160.9  344.6 FRAC -0.40  0.48  0.07 BFAC
    24.42
   SOLU 6DIM ENSE ensemble1 EULER  342.9  160.8  346.5 FRAC -0.40  0.98  0.07 BFAC
    24.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #70 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.38  0.01  0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   36.3   77.2   47.6 FRAC -0.38  0.51  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.748               -37.469                76.279

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   35.2   76.4   47.1 FRAC -0.38  0.01  0.05 BFAC
    25.24
   SOLU 6DIM ENSE ensemble1 EULER   35.9   75.4   47.7 FRAC -0.38  0.51  0.04 BFAC
    25.24
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   REFINING SET #71 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  290.3  105.3  224.9 FRAC  0.75  1.45  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  290.3  105.3  224.9 FRAC -0.25  0.95  0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -114.069               -42.755                71.314

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  291.8  105.2  225.1 FRAC  0.75  1.44  0.04 BFAC
    25.67
   SOLU 6DIM ENSE ensemble1 EULER  291.8  105.6  226.4 FRAC -0.25  0.95  0.03 BFAC
    25.67
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #72 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.31  0.72 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   86.6   48.0 FRAC -0.31  0.22 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 13 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -115.265               -22.422                92.844

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #73 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER   45.9   85.3   42.6 FRAC  0.82  1.01 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   45.9   85.3   42.6 FRAC  0.82  0.51 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.335               -38.328                75.006

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER   45.8   87.5   42.3 FRAC  0.82  1.01 -0.01 BFAC
    24.89
   SOLU 6DIM ENSE ensemble1 EULER   45.7   87.5   42.2 FRAC  0.82  0.51 -0.01 BFAC
    24.89
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #74 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC  0.61  1.17 -0.14 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  351.3  157.9  355.2 FRAC  0.61  1.67 -0.14 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 11 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.280               -34.537                78.743

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  356.5  158.3    1.7 FRAC  0.60  1.17 -0.14 BFAC
    25.49
   SOLU 6DIM ENSE ensemble1 EULER  357.7  157.9    1.4 FRAC  0.61  1.67 -0.14 BFAC
    25.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #75 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  231.3  157.9  355.2 FRAC -0.11  0.56  0.20 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  231.3  157.9  355.2 FRAC  0.39  0.56  0.19 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 10 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -113.544               -28.311                85.233

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  231.3  158.7  354.6 FRAC -0.10  0.56  0.19 BFAC
    25.02
   SOLU 6DIM ENSE ensemble1 EULER  233.6  157.8  358.0 FRAC  0.40  0.56  0.20 BFAC
    25.02
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #76 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.59  0.04  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  133.5   77.1   47.2 FRAC  0.59  0.54  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 14 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -115.110               -29.999                85.112

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  135.1   78.1   48.6 FRAC  0.58  0.03  0.06 BFAC
    24.83
   SOLU 6DIM ENSE ensemble1 EULER  134.7   77.7   46.5 FRAC  0.58  0.53  0.07 BFAC
    24.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #77 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.36  0.10 -0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.4  342.8 FRAC -0.36  0.60 -0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 7 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -114.868               -31.044                83.824

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #78 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC -0.24  0.56 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   31.1  104.0  135.6 FRAC -0.06  0.70 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -115.156                12.575               127.732

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  269.9  104.7  134.1 FRAC -0.24  0.57 -0.00 BFAC
    25.20
   SOLU 6DIM ENSE ensemble1 EULER   31.7  104.6  135.9 FRAC -0.07  0.69 -0.34 BFAC
    25.20
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #79 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.72  1.08  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.72  0.58 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -118.463                30.732               149.194

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  269.1  107.2  140.8 FRAC  0.73  1.10 -0.00 BFAC
    22.21
   SOLU 6DIM ENSE ensemble1 EULER  271.0  103.8  137.3 FRAC  0.72  0.59 -0.00 BFAC
    22.21
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #80 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC -0.24  0.29  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  151.1  104.1  136.9 FRAC  0.03  0.24  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 22 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -118.674                49.696               168.370

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  276.4  107.3  137.7 FRAC -0.24  0.27  0.00 BFAC
    20.36
   SOLU 6DIM ENSE ensemble1 EULER  153.1  106.8  139.7 FRAC  0.02  0.24  0.33 BFAC
    20.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #81 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.17  0.52 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.17  0.02 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 18 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -117.124                30.746               147.870

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  264.6  105.7  134.6 FRAC -0.17  0.54  0.00 BFAC
    23.15
   SOLU 6DIM ENSE ensemble1 EULER  268.7  105.8  137.5 FRAC -0.17  0.03 -0.00 BFAC
    23.15
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #82 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC -0.24  0.78  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC -0.24  1.28 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -118.067                35.125               153.193

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  267.3  106.1  135.0 FRAC -0.23  0.80  0.00 BFAC
    22.04
   SOLU 6DIM ENSE ensemble1 EULER  269.3  107.8  138.7 FRAC -0.24  1.30 -0.01 BFAC
    22.04
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #83 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC -0.18  0.66 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC -0.18  0.16 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 29 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -120.867                47.592               168.459

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  279.0  103.6  139.7 FRAC -0.19  0.66 -0.01 BFAC
    18.98
   SOLU 6DIM ENSE ensemble1 EULER  279.6  102.9  140.9 FRAC -0.19  0.15 -0.01 BFAC
    18.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #84 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC -0.28  0.40  0.00 BFAC 
    0.06
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.72  0.90 -0.01 BFAC 
    0.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 30 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -122.106                39.010               161.116

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  276.5  105.0  139.2 FRAC -0.28  0.38 -0.00 BFAC
    21.87
   SOLU 6DIM ENSE ensemble1 EULER  278.8  106.1  141.6 FRAC  0.72  0.88 -0.01 BFAC
    21.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #85 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.76  1.28  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.0  106.9  138.4 FRAC  0.22  0.98 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -124.317                46.937               171.255

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.5  138.9 FRAC  0.76  1.27 -0.00 BFAC
    21.83
   SOLU 6DIM ENSE ensemble1 EULER   37.8  106.3  137.0 FRAC  0.24  0.99 -0.34 BFAC
    21.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #86 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC -0.45  0.57  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC -0.45  0.07 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 18 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -124.966                26.934               151.900

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  270.8  104.3  142.5 FRAC -0.45  0.58  0.00 BFAC
    22.10
   SOLU 6DIM ENSE ensemble1 EULER  272.3  103.4  138.9 FRAC -0.44  0.09 -0.00 BFAC
    22.10
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #87 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.51  0.50  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC  0.49  1.00 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -125.210                35.807               161.017

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  275.3  105.2  144.4 FRAC -0.52  0.48 -0.00 BFAC
    21.57
   SOLU 6DIM ENSE ensemble1 EULER  277.0  104.5  140.8 FRAC  0.49  0.99 -0.00 BFAC
    21.57
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #88 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC -0.28  0.09  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.8  107.0  138.4 FRAC -0.13  0.28  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 30 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -124.728                40.525               165.253

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  276.6  105.1  141.3 FRAC -0.28  0.08 -0.01 BFAC
    21.43
   SOLU 6DIM ENSE ensemble1 EULER  159.3  105.8  138.2 FRAC -0.15  0.27  0.33 BFAC
    21.43
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #89 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.76  1.05  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC -0.24  0.56 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -125.838                12.940               138.777

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  271.5  105.1  136.7 FRAC  0.76  1.07 -0.01 BFAC
    25.33
   SOLU 6DIM ENSE ensemble1 EULER  271.5  103.2  135.4 FRAC -0.24  0.57 -0.00 BFAC
    25.33
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #90 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.60  0.95 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.60  1.45 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -126.871                32.560               159.431

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  288.7  107.1  137.2 FRAC  0.60  0.91 -0.00 BFAC
    25.03
   SOLU 6DIM ENSE ensemble1 EULER  273.6  105.8  139.6 FRAC  0.59  1.45 -0.00 BFAC
    25.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #91 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 20 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -128.007                46.314               174.321

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.1  108.3  137.0 FRAC -0.40  0.19 -0.00 BFAC
    22.03
   SOLU 6DIM ENSE ensemble1 EULER  157.5  105.7  139.7 FRAC  0.08  0.40 -0.34 BFAC
    22.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #92 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.81  1.16 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.81  1.66 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -128.782                47.605               176.387

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  279.6  102.9  140.8 FRAC  0.81  1.15 -0.01 BFAC
    18.97
   SOLU 6DIM ENSE ensemble1 EULER  279.0  103.8  139.7 FRAC  0.81  1.66 -0.01 BFAC
    18.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #93 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.83  1.02 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.17  0.52 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -129.150                30.771               159.921

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  268.6  105.8  137.6 FRAC  0.83  1.03 -0.00 BFAC
    23.27
   SOLU 6DIM ENSE ensemble1 EULER  264.6  105.6  134.6 FRAC -0.17  0.54  0.00 BFAC
    23.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #94 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.72  0.90  0.00 BFAC 
    0.06
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.72  0.40 -0.01 BFAC 
    0.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 28 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -129.933                39.006               168.940

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  278.8  106.1  141.5 FRAC  0.72  0.88 -0.01 BFAC
    21.84
   SOLU 6DIM ENSE ensemble1 EULER  276.6  104.9  139.1 FRAC  0.72  0.38 -0.00 BFAC
    21.84
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #95 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC  0.49  1.00  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC  0.49  1.50 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -129.433                35.803               165.236

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  277.0  104.5  140.9 FRAC  0.49  0.99 -0.00 BFAC
    21.45
   SOLU 6DIM ENSE ensemble1 EULER  275.2  105.2  144.4 FRAC  0.48  1.48 -0.00 BFAC
    21.45
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #96 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.72  0.59  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.8  107.0  138.4 FRAC  0.37  0.28  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 32 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -130.993                40.514               171.507

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  279.2  105.7  138.0 FRAC  0.73  0.58 -0.00 BFAC
    21.42
   SOLU 6DIM ENSE ensemble1 EULER  156.6  105.1  141.3 FRAC  0.36  0.28  0.33 BFAC
    21.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #97 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC -0.44  0.26  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.76 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -131.417                34.498               165.915

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  278.4  105.2  143.6 FRAC -0.45  0.24 -0.01 BFAC
    22.17
   SOLU 6DIM ENSE ensemble1 EULER  276.2  104.4  140.1 FRAC  0.56  0.75 -0.01 BFAC
    22.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #98 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.76  0.79 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.76  1.29 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -137.566                49.688               187.254

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.9  139.7 FRAC  0.76  0.78 -0.00 BFAC
    20.33
   SOLU 6DIM ENSE ensemble1 EULER  276.5  107.4  137.7 FRAC  0.76  1.27  0.00 BFAC
    20.33
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #99 OF 139
   -----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.55  1.07 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   31.7  105.4  136.9 FRAC  0.43  0.98 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 32 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -137.040                21.169               158.209

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.2  105.5  137.1 FRAC  0.56  1.09 -0.00 BFAC
    24.84
   SOLU 6DIM ENSE ensemble1 EULER   29.2  106.3  137.7 FRAC  0.41  0.96 -0.33 BFAC
    24.84
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #100 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.76 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.26 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -139.265                32.071               171.336

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  275.3  110.0  139.2 FRAC  0.56  0.74 -0.01 BFAC
    22.96
   SOLU 6DIM ENSE ensemble1 EULER  276.0  104.7  141.1 FRAC  0.55  0.24 -0.00 BFAC
    22.96
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #101 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.70  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  1.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 28 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -140.054                46.501               186.555

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  278.0  105.9  139.7 FRAC  0.60  0.69 -0.01 BFAC
    22.03
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.9  138.0 FRAC  0.60  1.19 -0.01 BFAC
    22.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #102 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC -0.35  0.38  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.9  107.1  139.2 FRAC  0.12  0.77  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -142.363                23.075               165.438

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  269.2  104.9  140.7 FRAC -0.35  0.40 -0.01 BFAC
    23.07
   SOLU 6DIM ENSE ensemble1 EULER   30.3  107.6  139.1 FRAC  0.10  0.75  0.33 BFAC
    23.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #103 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC -0.49  0.75  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC -0.49  0.25 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 27 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -144.885                -4.856               140.029

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  261.1  104.9  120.8 FRAC -0.50  0.75  0.02 BFAC
    25.72
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.6  139.2 FRAC -0.50  0.25 -0.00 BFAC
    25.72
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #104 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29 -0.36 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.79  0.14  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.79  0.64 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -145.324                23.707               169.031

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29 -0.36 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  274.5  106.1  143.0 FRAC  0.79  0.13 -0.00 BFAC
    23.00
   SOLU 6DIM ENSE ensemble1 EULER  274.2  113.8  139.3 FRAC  0.79  0.62 -0.01 BFAC
    23.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #105 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  1.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -146.393                25.746               172.139

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.5  104.7  141.1 FRAC -0.38  0.68 -0.00 BFAC
    23.98
   SOLU 6DIM ENSE ensemble1 EULER  278.0  107.8  138.5 FRAC -0.37  1.19 -0.01 BFAC
    23.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #106 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC -0.32  0.93 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.68  1.43 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -147.581                14.407               161.987

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  275.7  107.5  143.2 FRAC -0.32  0.93 -0.01 BFAC
    23.25
   SOLU 6DIM ENSE ensemble1 EULER  280.3  104.7  142.6 FRAC  0.67  1.42 -0.01 BFAC
    23.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #107 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC -0.50  0.30 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC -0.50 -0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -148.493                11.784               160.278

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  275.1  104.1  141.6 FRAC -0.50  0.31 -0.00 BFAC
    24.68
   SOLU 6DIM ENSE ensemble1 EULER  267.5  110.0  138.0 FRAC -0.49 -0.18  0.00 BFAC
    24.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #108 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.65  0.88  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.65  0.38 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 28 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -150.574                23.068               173.642

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  270.3  107.6  139.1 FRAC  0.65  0.90 -0.00 BFAC
    23.11
   SOLU 6DIM ENSE ensemble1 EULER  269.1  104.8  140.8 FRAC  0.65  0.40 -0.01 BFAC
    23.11
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #109 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC -0.35  0.06 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC -0.35 -0.44 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -151.907                20.785               172.691

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.9  138.1 FRAC -0.35  0.05 -0.00 BFAC
    24.20
   SOLU 6DIM ENSE ensemble1 EULER  279.1  107.8  140.7 FRAC -0.35 -0.46 -0.01 BFAC
    24.20
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #110 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC -0.37  0.80 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC -0.37  0.30 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 22 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -151.275                16.456               167.731

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  265.5  110.9  134.6 FRAC -0.37  0.83  0.00 BFAC
    24.70
   SOLU 6DIM ENSE ensemble1 EULER  275.5  108.1  139.0 FRAC -0.37  0.30 -0.00 BFAC
    24.70
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #111 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.66  1.26  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  300.0   65.4  326.3 FRAC  0.24  0.90  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 27 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -152.210                 5.838               158.048

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.1   66.6  324.2 FRAC  0.66  1.26 -0.00 BFAC
    24.99
   SOLU 6DIM ENSE ensemble1 EULER  294.0   66.4  325.5 FRAC  0.25  0.88  0.34 BFAC
    24.99
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #112 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC -0.50  0.60 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC -0.50  1.10 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -151.808                31.066               182.874

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  278.9  106.0  139.8 FRAC -0.50  0.59 -0.01 BFAC
    21.48
   SOLU 6DIM ENSE ensemble1 EULER  279.0  106.5  142.5 FRAC -0.50  1.09 -0.01 BFAC
    21.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #113 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.62  1.19  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   33.2  107.1  139.2 FRAC  0.30  0.93 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -153.470                25.750               179.220

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  278.0  107.8  138.5 FRAC  0.63  1.19 -0.01 BFAC
    23.90
   SOLU 6DIM ENSE ensemble1 EULER   35.4  104.6  141.1 FRAC  0.32  0.94 -0.34 BFAC
    23.90
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #114 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.68  1.43 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  153.6  108.8  140.1 FRAC  0.25  1.32 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -155.708                16.821               172.529

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  275.5  116.0  141.1 FRAC  0.67  1.41 -0.00 BFAC
    22.68
   SOLU 6DIM ENSE ensemble1 EULER  154.5  109.4  141.5 FRAC  0.24  1.32 -0.34 BFAC
    22.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #115 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29 -0.36 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC -0.21 -0.36  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   33.1  108.5  140.3 FRAC -0.14 -0.35  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -154.352                23.789               178.141

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29 -0.36 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  274.6  113.4  139.4 FRAC -0.21 -0.38 -0.00 BFAC
    23.02
   SOLU 6DIM ENSE ensemble1 EULER   35.1  106.6  143.4 FRAC -0.13 -0.33  0.33 BFAC
    23.02
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #116 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.51  1.25 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.51  0.75 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 34 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -155.521                20.069               175.590

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.0  138.1 FRAC  0.50  1.27 -0.01 BFAC
    23.19
   SOLU 6DIM ENSE ensemble1 EULER  271.3  106.4  141.4 FRAC  0.51  0.76 -0.00 BFAC
    23.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #117 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.62  1.30  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.62  1.80 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 23 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -156.006                17.008               173.015

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  266.9  107.0  140.1 FRAC  0.64  1.32  0.01 BFAC
    24.47
   SOLU 6DIM ENSE ensemble1 EULER  271.9  108.0  139.6 FRAC  0.62  1.81 -0.00 BFAC
    24.47
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #118 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.50  1.10 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.50  0.60 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -157.314                10.232               167.547

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  275.1  108.4  141.7 FRAC  0.50  1.10 -0.01 BFAC
    25.97
   SOLU 6DIM ENSE ensemble1 EULER  267.5  116.1  133.0 FRAC  0.51  0.63 -0.00 BFAC
    25.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #119 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC -0.35  0.03 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.65  0.53 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 29 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -160.380                19.518               179.899

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  278.6  106.0  140.3 FRAC -0.35  0.02 -0.01 BFAC
    23.98
   SOLU 6DIM ENSE ensemble1 EULER  276.2  104.5  140.8 FRAC  0.65  0.52 -0.01 BFAC
    23.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #120 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC -0.23  0.84  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.77  1.34 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -161.058                15.597               176.654

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  277.4  108.7  141.8 FRAC -0.23  0.81 -0.00 BFAC
    24.49
   SOLU 6DIM ENSE ensemble1 EULER  275.2  107.3  141.6 FRAC  0.77  1.32 -0.01 BFAC
    24.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #121 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.65  0.53  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.2  106.8  138.9 FRAC  0.38  0.35 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 32 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -161.234                10.358               171.592

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  271.0  105.5  140.6 FRAC  0.66  0.53 -0.00 BFAC
    25.06
   SOLU 6DIM ENSE ensemble1 EULER  142.2  108.4  136.2 FRAC  0.38  0.33 -0.33 BFAC
    25.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #122 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC -0.34  0.76  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC -0.34  0.26 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 33 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -161.551                 7.287               168.837

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.0   62.7  320.1 FRAC -0.35  0.74 -0.00 BFAC
    24.30
   SOLU 6DIM ENSE ensemble1 EULER  182.3   69.6  325.0 FRAC -0.35  0.25 -0.01 BFAC
    24.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #123 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC -0.37  0.57 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.5  105.8  138.3 FRAC -0.07  0.57  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 20 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -162.459                21.143               183.602

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  275.5  106.1  140.7 FRAC -0.36  0.55  0.00 BFAC
    22.66
   SOLU 6DIM ENSE ensemble1 EULER   38.5  105.7  140.8 FRAC -0.05  0.58  0.33 BFAC
    22.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #124 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.65  0.56  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.3  105.9  137.3 FRAC  0.40  0.35 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 32 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -162.996                25.367               188.363

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  268.5  109.7  134.4 FRAC  0.65  0.58 -0.00 BFAC
    23.40
   SOLU 6DIM ENSE ensemble1 EULER  151.1  107.7  139.5 FRAC  0.42  0.35 -0.33 BFAC
    23.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #125 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC -0.30  0.97 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC -0.30  0.47 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -163.498                 2.545               166.043

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  272.9  103.5  140.9 FRAC -0.30  0.99 -0.01 BFAC
    25.70
   SOLU 6DIM ENSE ensemble1 EULER  272.7  103.4  139.3 FRAC -0.30  0.48 -0.01 BFAC
    25.70
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #126 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04 -0.23 -0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC -0.47 -0.24  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC -0.47  0.26 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -163.451                13.274               176.725

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04 -0.23 -0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  185.1   67.2  323.0 FRAC -0.47 -0.24 -0.01 BFAC
    23.43
   SOLU 6DIM ENSE ensemble1 EULER  190.3   63.7  319.2 FRAC -0.45  0.27 -0.01 BFAC
    23.43
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #127 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC -0.50  0.12  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.50  0.62 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 29 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -163.536                15.202               178.738

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  273.9  105.5  137.2 FRAC -0.50  0.11 -0.00 BFAC
    24.49
   SOLU 6DIM ENSE ensemble1 EULER  279.1  106.6  137.7 FRAC  0.51  0.60 -0.00 BFAC
    24.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #128 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.50  0.80 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.50  0.30 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -163.948                13.893               177.841

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  280.6  114.2  138.0 FRAC  0.51  0.78 -0.00 BFAC
    25.58
   SOLU 6DIM ENSE ensemble1 EULER  274.2  106.6  140.8 FRAC  0.50  0.30 -0.01 BFAC
    25.58
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #129 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04 -0.23 -0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.53  0.26 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.53  0.76 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 30 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -164.600                10.231               174.831

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04 -0.23 -0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  180.8   64.6  322.9 FRAC  0.53  0.28 -0.01 BFAC
    24.93
   SOLU 6DIM ENSE ensemble1 EULER  184.3   68.8  324.8 FRAC  0.52  0.76 -0.01 BFAC
    24.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #130 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC -0.41  0.86 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC -0.41  0.36 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 22 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -165.902                13.855               179.757

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  140.9 FRAC -0.41  0.87 -0.00 BFAC
    23.16
   SOLU 6DIM ENSE ensemble1 EULER  272.7  102.0  142.3 FRAC -0.41  0.38 -0.01 BFAC
    23.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #131 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC -0.42  0.41  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.7  107.2  139.5 FRAC  0.09  0.67  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -166.316                 9.770               176.086

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.4  139.6 FRAC -0.42  0.43  0.00 BFAC
    23.71
   SOLU 6DIM ENSE ensemble1 EULER   31.6  106.7  140.2 FRAC  0.07  0.66  0.33 BFAC
    23.71
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #132 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.50  0.62  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.50  1.12 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -169.203                15.196               184.399

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  279.3  106.7  137.8 FRAC  0.51  0.60 -0.00 BFAC
    24.50
   SOLU 6DIM ENSE ensemble1 EULER  274.0  105.4  137.3 FRAC  0.50  1.11 -0.00 BFAC
    24.50
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #133 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.77  1.34  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.77  0.84 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -170.471                15.540               186.010

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  274.6  107.2  141.6 FRAC  0.77  1.32 -0.01 BFAC
    24.61
   SOLU 6DIM ENSE ensemble1 EULER  277.4  108.7  141.8 FRAC  0.77  0.81 -0.00 BFAC
    24.61
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #134 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC -0.40  0.14 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.9  107.1  139.6 FRAC  0.05  0.40  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 20 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -170.031                 8.108               178.139

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.0  138.1 FRAC -0.40  0.14 -0.00 BFAC
    25.19
   SOLU 6DIM ENSE ensemble1 EULER  163.7  112.3  141.8 FRAC  0.03  0.41  0.32 BFAC
    25.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #135 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.70  1.47 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.4  105.7  138.4 FRAC  0.27  1.30 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 37 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -172.765               -14.835               157.930

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  275.1  104.4  139.2 FRAC  0.69  1.46 -0.00 BFAC
    27.05
   SOLU 6DIM ENSE ensemble1 EULER  143.7  108.8  122.2 FRAC  0.32  1.33 -0.33 BFAC
    27.05
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #136 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.58  0.91 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC -0.42  0.41 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -172.485                20.504               192.989

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  275.6  105.8  139.0 FRAC  0.58  0.90 -0.00 BFAC
    22.46
   SOLU 6DIM ENSE ensemble1 EULER  278.2  112.8  140.1 FRAC -0.42  0.39 -0.01 BFAC
    22.46
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #137 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.63  1.07  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.5  105.8  138.3 FRAC  0.43  1.07  0.33 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 18 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -174.739                21.149               195.888

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  278.5  105.7  140.6 FRAC  0.63  1.05 -0.01 BFAC
    22.61
   SOLU 6DIM ENSE ensemble1 EULER   35.5  106.0  140.6 FRAC  0.45  1.08  0.33 BFAC
    22.61
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #138 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.59  1.36 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.59  0.86 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -176.774                13.857               190.630

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  272.7  102.0  142.3 FRAC  0.59  1.38 -0.01 BFAC
    23.15
   SOLU 6DIM ENSE ensemble1 EULER  272.4  104.8  141.0 FRAC  0.59  0.87 -0.00 BFAC
    23.15
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   REFINING SET #139 OF 139
   ------------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.60  0.64 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC -0.40  0.14 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 38 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -181.384                10.769               192.153

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  279.7  110.3  139.5 FRAC  0.59  0.62 -0.01 BFAC
    24.33
   SOLU 6DIM ENSE ensemble1 EULER  275.4  107.3  137.3 FRAC -0.40  0.13 -0.00 BFAC
    24.33
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

---------------
TFZ EQUIVALENTS
---------------

   Translational NCS present
   Refined TFZ equivalent not accurate and therefore not calculated

$TABLE : Refinement After Placing Component #4 (ensemble1  3.94A) :
$GRAPHS 
:Solution Number vs LL-gain:AUTO:1,2,3: :Solution Number vs R-value:AUTO:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1      60.57    -117.57 72.86 116.05
2      60.55    -139.75 70.41 146.18
3      60.51    -136.33 72.74 116.63
4      59.65    -124.56 69.49 129.59
5      59.51    -127.84 70.65 145.80
6      57.42    -128.93 70.34 140.75
7      57.42    -121.35 70.33 137.65
8      57.30    -113.30 73.59 117.16
9      53.69    -129.50 70.05 118.44
10      53.62    -121.92 70.05 116.17
11      53.26    -131.24 70.53 142.12
12      53.00    -125.49 70.42 140.26
13      50.08    -126.64 59.46 121.57
14      48.64    -118.50 72.42 129.65
15      48.38    -129.82 71.08 114.64
16      48.22    -125.41 71.17 114.07
17      47.41    -131.53 73.03 137.17
18      46.55    -138.80 73.04 138.02
19      45.80    -108.35 72.45 117.11
20      44.48    -117.83 71.75 109.95
21      44.44    -129.16 71.86 110.83
22      44.22    -117.37 72.69 116.98
23      43.80    -153.34 71.08 134.14
24      41.93    -162.12 70.80 139.87
25      41.16    -146.45 71.10 135.39
26      41.09    -153.46 71.12 138.27
27      40.42    -125.03 69.96 120.12
28      39.19    -144.94 70.35 129.74
29      39.10    -154.52 71.14 132.38
30      38.87    -137.86 74.62 123.01
31      38.04    -150.13 71.29 130.82
32      37.82    -142.55 71.55 130.71
33      37.73    -151.15 70.32 138.58
34      35.67    -159.85 75.15 143.66
35      35.18    -155.28 75.25 147.87
36      35.17    -161.88 73.16 133.89
37      35.06    -173.86 73.15 136.13
38      34.31    -172.93 66.53 148.70
39      33.88    -155.73 69.02 131.20
40      33.53    -151.77 66.48 129.45
41      32.68    -159.93 72.96 105.98
42      32.52    -169.44 72.77 107.72
43      32.17    -154.48 69.73 140.60
44      32.04    -164.75 69.66 129.36
45      31.90    -165.18 63.06 149.99
46      31.75    -168.86 69.43 129.53
47      30.49    -147.10 72.16 142.03
48      30.20    -125.87 76.07 104.84
49      29.92    -115.67 76.15 104.55
50      28.88    -158.49 64.11 133.37
51      28.49    -163.90 67.31 135.08
52      28.40    -176.65 72.65 140.24
53      28.03    -165.88 72.66 140.53
54      27.83    -160.35 64.34 140.70
55      27.76    -149.74 66.75 147.31
56      26.91    -165.56 71.68 133.36
57      26.32    -181.39 67.49 140.33
58      25.04    -167.11 73.17 147.23
59      24.96    -169.64 62.22 138.32
60      24.66    -161.50 74.06 116.15
61      24.17    -152.52 71.48 116.25
62      20.18    -163.66 76.48 125.33
63      12.95    -144.93 63.22 146.96
64       5.62    -172.91 61.66 126.52
65       4.19     -95.14 57.67 58.21
66       3.80     -99.87 57.58 58.18
67       3.75     -91.56 56.78 57.52
68       3.51     -84.60 56.00 55.54
69       3.51    -104.71 56.78 57.89
70       3.42    -109.90 55.78 56.65
71       3.41     -87.73 56.01 56.23
72       3.00    -107.24 55.68 56.67
73       2.15    -110.99 56.35 57.36
74       1.08     -92.05 55.72 55.38
75       0.58    -110.40 57.26 57.97
76      -0.00    -109.60 56.03 56.61
77      -0.45    -106.48 56.23 56.61
78      -0.87    -100.21 56.29 56.95
79      -2.40    -103.43 57.83 58.60
80      -3.15     -87.50 57.06 57.38
81      -3.48    -104.23 55.92 56.75
82      -3.68     -96.63 57.67 57.59
83      -4.80    -111.10 56.54 55.75
84      -4.85    -114.07 57.65 57.35
85      -4.87    -103.35 57.66 58.01
86      -5.07    -113.03 56.50 57.55
87      -5.64    -109.28 56.66 57.47
88      -5.90    -113.03 56.74 56.71
89      -6.25    -111.31 55.81 56.76
90      -6.29    -107.53 58.05 58.73
91      -7.16    -107.47 56.71 56.96
92      -7.62    -106.98 56.93 57.16
93      -7.73    -106.14 55.68 55.87
94      -8.25     -92.44 56.88 57.25
95      -9.61    -101.58 58.10 58.23
96      -9.91     -94.59 56.17 56.13
97     -10.23    -109.77 56.18 56.31
98     -10.57    -114.71 56.92 57.62
99     -10.71    -113.00 56.75 56.86
100     -10.85    -111.11 56.16 56.33
101     -10.88    -111.73 56.76 58.01
102     -11.12    -112.61 56.41 56.89
103     -11.35    -101.58 56.78 56.83
104     -11.53    -114.56 56.79 57.39
105     -12.14    -112.51 55.91 55.83
106     -12.43    -110.59 56.90 56.86
107     -12.59    -109.44 57.46 58.22
108     -12.69    -105.12 57.63 58.15
109     -13.17    -105.96 55.16 55.69
110     -13.51    -114.61 55.92 55.66
111     -13.56    -109.23 55.96 56.26
112     -13.60    -113.33 56.21 56.37
113     -13.64    -113.53 55.16 55.91
114     -13.72     -96.73 57.50 57.36
115     -13.93     -98.23 56.96 57.33
116     -14.12    -106.77 56.32 56.06
117     -14.56    -110.60 56.96 57.54
118     -14.74    -111.15 56.18 57.08
119     -14.77    -109.18 55.45 55.18
120     -14.77    -113.52 56.65 56.95
121     -15.09    -113.66 57.55 58.61
122     -15.53    -113.54 57.10 57.16
123     -15.55    -108.01 56.85 57.33
124     -15.67    -108.52 58.33 58.13
125     -15.76    -109.88 58.31 58.01
126     -15.77    -111.27 56.61 56.74
127     -15.92    -111.81 56.48 56.87
128     -16.76    -112.59 56.52 56.22
129     -16.87    -112.83 56.67 56.46
130     -17.23    -114.37 57.34 57.23
131     -17.26    -112.76 56.61 56.87
132     -17.26    -111.31 56.56 56.87
133     -17.45    -110.60 56.14 55.86
134     -19.58    -113.68 57.11 57.55
135     -20.06    -106.58 57.29 57.33
136     -20.13    -110.55 57.15 56.49
137     -21.24    -105.76 56.76 56.60
138     -21.87    -114.20 57.26 56.79
139     -24.56    -113.86 57.14 57.26
$$
---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 2 threads.
   Calculating Duplicates for 139 solutions
   0%                                                                     100%
   |=======================================================================| DONE

   32 duplicate solutions found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison


---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG = 60.5668
   Mean LLG = -226.121
   Percent used for purge = 75%
      Cutoff for acceptance = -11.1
   All Z-scores over 10.1772 retained
      Number high TFZ retained = 0
   Overall cutoff for acceptance (excluding high TFZ) = -11.1
   Number of solutions stored before purge = 139
   Number of solutions stored (deleted) after purge = 101 (38)

-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   80         -117.6  >99 19.9         60.6 72.9  n/a   P 32         1.003
   2    ---   101        -139.7  >99 19.9         60.5 70.4  n/a   P 31         1.007
   ---  1     98         -136.3  >99 19.5         60.5 72.7  n/a   P 32         1.003
   3    ---   85         -124.6  >99 20.1         59.6 69.5  n/a   P 32         1.000
   ---  2     91         -127.8  >99 19.9         59.5 70.6  n/a   P 31         1.007
   4    ---   92         -128.9  >99 20.4         57.4 70.3  n/a   P 31         1.000
   ---  4     83         -121.3  >99 20.4         57.4 70.3  n/a   P 31         1.000
   5    ---   64         -113.3  >99 20.1         57.3 73.6  n/a   P 32         1.013
   6    ---   94         -129.5  >99 20.1         53.7 70.1  n/a   P 31         1.001
   ---  6     84         -121.9  >99 20.1         53.6 70.1  n/a   P 31         1.001
   7    ---   96         -131.2  >99 19.9         53.3 70.5  n/a   P 32         1.011
   ---  7     88         -125.5  >99 19.9         53.0 70.4  n/a   P 32         1.011
   8    ---   90         -126.6  >99 19.7         50.1 59.5  n/a   P 32         1.005
   9    ---   82         -118.5  >99 20.3         48.6 72.4  n/a   P 32         1.001
   10   ---   95         -129.8  >99 19.7         48.4 71.1  n/a   P 31         1.003
   ---  10    87         -125.4  >99 19.7         48.2 71.2  n/a   P 31         1.003
   11   ---   97         -131.5  >99 19.8         47.4 73.0  n/a   P 32         1.003
   ---  11    100        -138.8  >99 19.6         46.6 73.0  n/a   P 32         1.003
   12   ---   32         -108.4  >99 20.3         45.8 72.4  n/a   P 32         1.002
   13   ---   81         -117.8  >99 19.5         44.5 71.8  n/a   P 31         1.001
   ---  13    93         -129.2  >99 19.3         44.4 71.9  n/a   P 31         1.001
   ---  12    79         -117.4  >99 19.9         44.2 72.7  n/a   P 32         1.002
   14   ---   112        -153.3  >99 19.0         43.8 71.1  n/a   P 31         1.007
   15   ---   124        -162.1  >99 19.4         41.9 70.8  n/a   P 31         1.003
   16   ---   105        -146.5  >99 19.5         41.2 71.1  n/a   P 32         1.003
   ---  16    113        -153.5  >99 19.2         41.1 71.1  n/a   P 32         1.003
   17   ---   86         -125.0  >99 19.5         40.4 70.0  n/a   P 32         1.003
   18   ---   104        -144.9  >99 19.3         39.2 70.3  n/a   P 31         1.001
   ---  18    115        -154.5  >99 18.9         39.1 71.1  n/a   P 31         1.001
   ---  17    99         -137.9  >99 19.3         38.9 74.6  n/a   P 32         1.003
   19   ---   108        -150.1  >99 19.0         38.0 71.3  n/a   P 31         1.000
   ---  19    102        -142.5  >99 19.0         37.8 71.5  n/a   P 31         1.000
   20   ---   109        -151.2  >99 19.7         37.7 70.3  n/a   P 31         1.008
   21   ---   119        -159.9  >99 19.1         35.7 75.2  n/a   P 31         1.002
   22   ---   116        -155.3  >99 19.1         35.2 75.2  n/a   P 32         1.000
   23   ---   123        -161.9  >99 18.6         35.2 73.2  n/a   P 31         1.003
   ---  23    137        -173.9  >99 18.4         35.1 73.1  n/a   P 31         1.003
   24   ---   136        -172.9  >99 18.8         34.3 66.5  n/a   P 31         1.002
   25   ---   117        -155.7  >99 19.0         33.9 69.0  n/a   P 31         1.001
   26   ---   110        -151.8  >99 18.9         33.5 66.5  n/a   P 31         1.003
   27   ---   120        -159.9  >99 18.1         32.7 73.0  n/a   P 31         1.001
   ---  27    133        -169.4  >99 17.9         32.5 72.8  n/a   P 31         1.001
   28   ---   114        -154.5  >99 18.7         32.2 69.7  n/a   P 31         1.001
   29   ---   127        -164.8  >99 18.9         32.0 69.7  n/a   P 32         1.005
   30   ---   128        -165.2  >99 18.5         31.9 63.1  n/a   P 31         1.001
   ---  29    132        -168.9  >99 18.7         31.7 69.4  n/a   P 32         1.005
   31   ---   106        -147.1  >99 19.0         30.5 72.2  n/a   P 31         1.001
   32   ---   89         -125.9  >99 18.8         30.2 76.1  n/a   P 32         1.004
   ---  32    78         -115.7  >99 18.8         29.9 76.2  n/a   P 32         1.004
   33   ---   118        -158.5  >99 18.7         28.9 64.1  n/a   P 31         1.002
   34   ---   126        -163.9  >99 19.6         28.5 67.3  n/a   P 31         1.000
   35   ---   138        -176.6  >99 18.6         28.4 72.7  n/a   P 31         1.001
   ---  35    130        -165.9  >99 18.6         28.0 72.7  n/a   P 31         1.001
   36   ---   121        -160.3  >99 18.9         27.8 64.3  n/a   P 31         1.000
   37   ---   107        -149.7  >99 19.1         27.8 66.8  n/a   P 31         1.003
   38   ---   129        -165.6  >99 19.4         26.9 71.7  n/a   P 31         1.002
   39   ---   139        -181.4  >99 18.3         26.3 67.5  n/a   P 32         1.001
   40   ---   131        -167.1  >99 19.1         25.0 73.2  n/a   P 31         1.000
   ---  39    134        -169.6  >99 18.3         25.0 62.2  n/a   P 32         1.001
   41   ---   122        -161.5  >99 19.1         24.7 74.1  n/a   P 31         1.002
   42   ---   111        -152.5  >99 19.4         24.2 71.5  n/a   P 31         1.016
   43   ---   125        -163.7  >99 18.3         20.2 76.5  n/a   P 31         1.030
   44   ---   103        -144.9  >99 19.5         13.0 63.2  n/a   P 32         1.032
   45   ---   135        -172.9  >99 17.9          5.6 61.7  n/a   P 31         1.006
   46   ---   8           -95.1 58.2  5.5          4.2 57.7  n/a   P 32         1.000
   ---  46    12          -99.9 58.2  5.3          3.8 57.6  n/a   P 32         1.000
   47   ---   4           -91.6 57.5  5.6          3.8 56.8  n/a   P 31         1.000
   48   ---   1           -84.6 55.5  5.3          3.5 56.0  n/a   P 31         1.002
   ---  47    19         -104.7 57.9  5.0          3.5 56.8  n/a   P 31         1.000
   49   ---   41         -109.9 56.6  3.9          3.4 55.8  n/a   P 31         1.000
   ---  48    3           -87.7 56.2  5.2          3.4 56.0  n/a   P 31         1.002
   50   ---   28         -107.2 56.7  4.8          3.0 55.7  n/a   P 31         1.004
   51   ---   47         -111.0 57.4  5.0          2.2 56.3  n/a   P 31         1.005
   52   ---   5           -92.1 55.4  5.6          1.1 55.7  n/a   P 31         1.002
   53   ---   42         -110.4 58.0  5.2          0.6 57.3  n/a   P 32         1.003
   54   ---   38         -109.6 56.6  5.0         -0.0 56.0  n/a   P 32         1.002
   55   ---   24         -106.5 56.6  5.6         -0.5 56.2  n/a   P 31         1.007
   ---  55    13         -100.2 57.0  5.6         -0.9 56.3  n/a   P 31         1.007
   56   ---   17         -103.4 58.6  5.7         -2.4 57.8  n/a   P 32         1.005
   57   ---   2           -87.5 57.4  6.3         -3.1 57.1  n/a   P 32         1.001
   58   ---   18         -104.2 56.7  4.8         -3.5 55.9  n/a   P 31         1.001
   ---  56    9           -96.6 57.6  5.7         -3.7 57.7  n/a   P 32         1.005
   59   ---   48         -111.1 55.7  4.9         -4.8 56.5  n/a   P 32         1.000
   60   ---   72         -114.1 57.4  5.4         -4.9 57.6  n/a   P 32         1.001
   ---  60    16         -103.4 58.0  5.4         -4.9 57.7  n/a   P 32         1.001
   61   ---   62         -113.0 57.5  4.8         -5.1 56.5  n/a   P 32         1.003
   62   ---   36         -109.3 57.5  4.8         -5.6 56.7  n/a   P 32         1.001
   63   ---   63         -113.0 56.7  4.7         -5.9 56.7  n/a   P 31         1.002
   64   ---   53         -111.3 56.8  4.0         -6.2 55.8  n/a   P 31         1.000
   65   ---   30         -107.5 58.7  5.1         -6.3 58.0  n/a   P 32         1.004
   66   ---   29         -107.5 57.0  4.9         -7.2 56.7  n/a   P 32         1.002
   67   ---   27         -107.0 57.2  4.8         -7.6 56.9  n/a   P 32         1.000
   68   ---   23         -106.1 55.9  4.2         -7.7 55.7  n/a   P 31         1.002
   69   ---   6           -92.4 57.3  5.4         -8.2 56.9  n/a   P 31         1.006
   70   ---   14         -101.6 58.2  5.4         -9.6 58.1  n/a   P 32         1.001
   71   ---   7           -94.6 56.1  4.5         -9.9 56.2  n/a   P 31         1.002
   ---  71    39         -109.8 56.3  3.6        -10.2 56.2  n/a   P 31         1.002
   72   ---   77         -114.7 57.6  4.0        -10.6 56.9  n/a   P 31         1.001
   73   ---   61         -113.0 56.9  4.3        -10.7 56.8  n/a   P 31         1.001
   74   ---   49         -111.1 56.3  4.5        -10.8 56.2  n/a   P 31         1.000
   75   ---   54         -111.7 58.0  5.6        -10.9 56.8  n/a   P 32         1.001
   ---  ---   58         -112.6 56.9  4.7        -11.1 56.4  n/a   P 32         1.001
   ---  ---   15         -101.6 56.8  5.2        -11.4 56.8  n/a   P 32         1.003
   ---  ---   75         -114.6 57.4  4.5        -11.5 56.8  n/a   P 32         1.003
   ---  ---   56         -112.5 55.8  4.2        -12.1 55.9  n/a   P 32         1.001
   ---  ---   44         -110.6 56.9  6.0        -12.4 56.9  n/a   P 32         1.001
   ---  ---   37         -109.4 58.2  5.1        -12.6 57.5  n/a   P 31         1.000
   ---  ---   20         -105.1 58.2  5.6        -12.7 57.6  n/a   P 32         1.002
   ---  ---   22         -106.0 55.7  4.4        -13.2 55.2  n/a   P 32         1.000
   ---  ---   76         -114.6 55.7  4.5        -13.5 55.9  n/a   P 32         1.000
   ---  ---   35         -109.2 56.3  4.2        -13.6 56.0  n/a   P 32         1.000
   ---  ---   65         -113.3 56.4  5.1        -13.6 56.2  n/a   P 31         1.000
   ---  ---   67         -113.5 55.9  4.3        -13.6 55.2  n/a   P 32         1.000
   ---  ---   10          -96.7 57.4  5.4        -13.7 57.5  n/a   P 32         1.001
   ---  ---   11          -98.2 57.3  4.9        -13.9 57.0  n/a   P 32         1.001
   ---  ---   26         -106.8 56.1  5.1        -14.1 56.3  n/a   P 32         1.002
   ---  ---   46         -110.6 57.5  4.9        -14.6 57.0  n/a   P 32         1.001
   ---  ---   50         -111.1 57.1  4.3        -14.7 56.2  n/a   P 32         1.000
   ---  ---   34         -109.2 55.2  4.3        -14.8 55.4  n/a   P 31         1.000
   ---  ---   66         -113.5 56.9  4.8        -14.8 56.6  n/a   P 32         1.002
   ---  ---   69         -113.7 58.6  5.2        -15.1 57.5  n/a   P 31         1.002
   ---  ---   68         -113.5 57.2  4.2        -15.5 57.1  n/a   P 31         1.000
   ---  ---   31         -108.0 57.3  4.3        -15.5 56.8  n/a   P 31         1.001
   ---  ---   33         -108.5 58.1  5.3        -15.7 58.3  n/a   P 31         1.000
   ---  ---   40         -109.9 58.0  5.2        -15.8 58.3  n/a   P 31         1.000
   ---  ---   51         -111.3 56.7  4.3        -15.8 56.6  n/a   P 32         1.001
   ---  ---   55         -111.8 56.9  4.7        -15.9 56.5  n/a   P 32         1.004
   ---  ---   57         -112.6 56.2  4.5        -16.8 56.5  n/a   P 32         1.001
   ---  ---   60         -112.8 56.5  4.3        -16.9 56.7  n/a   P 31         1.002
   ---  ---   74         -114.4 57.2  4.8        -17.2 57.3  n/a   P 32         1.000
   ---  ---   59         -112.8 56.9  5.5        -17.3 56.6  n/a   P 31         1.001
   ---  ---   52         -111.3 56.9  5.5        -17.3 56.6  n/a   P 31         1.001
   ---  ---   45         -110.6 55.9  4.4        -17.5 56.1  n/a   P 32         1.010
   ---  ---   70         -113.7 57.6  5.0        -19.6 57.1  n/a   P 32         1.002
   ---  ---   25         -106.6 57.3  5.0        -20.1 57.3  n/a   P 31         1.000
   ---  ---   43         -110.5 56.5  4.5        -20.1 57.1  n/a   P 32         1.005
   ---  ---   21         -105.8 56.6  4.9        -21.2 56.8  n/a   P 31         1.003
   ---  ---   73         -114.2 56.8  4.6        -21.9 57.3  n/a   P 31         1.013
   ---  ---   71         -113.9 57.3  5.0        -24.6 57.1  n/a   P 31          n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (139 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   ensemble1            1   0.362   +0.317/+0.317    ( 0.670/ 0.670 )


------------
OUTPUT FILES
------------

   A sharpening B-factor of 100% of the isotropic B-factor in the direction of
   smallest falloff (i.e. highest resolution) has been added to the anisotropically
   corrected structure factors (FWT,DELFWT)

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  276.4  107.3  137.7 FRAC -0.24  0.27  0.00 BFAC
    20.36
   SOLU 6DIM ENSE ensemble1 EULER  153.1  106.8  139.7 FRAC  0.02  0.24  0.33 BFAC
    20.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   No files output


CPU Time: 0 days 0 hrs 17 mins 27.56 secs (   1047.56 secs)
Finished: Thu Apr 21 17:59:47 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Current is best for this component
** New best solution has 4 components
** New best solution LLG = 60.6 (resolution = 3.94)
** New best solution component = ensemble1

CPU Time: 0 days 0 hrs 17 mins 27.56 secs (   1047.56 secs)
Finished: Thu Apr 21 17:59:47 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** There was only 1 possible ensemble for this component
** End of possible ensembles for this component

CPU Time: 0 days 0 hrs 17 mins 27.56 secs (   1047.56 secs)
Finished: Thu Apr 21 17:59:47 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Definite solutions found
** New best solution has 4 components
** New best solution overall
** New best solution LLG = 60.6
** New best solution TFZ = 20.4

CPU Time: 0 days 0 hrs 17 mins 27.56 secs (   1047.56 secs)
Finished: Thu Apr 21 17:59:47 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Search: Next component
** Search Order (next search *) (placed +):
**    #1   ensemble1 +
**    #2   ensemble1 +
**    #3   ensemble1 *

CPU Time: 0 days 0 hrs 17 mins 27.57 secs (   1047.57 secs)
Finished: Thu Apr 21 17:59:47 2016

*************************************************************************************
*** Phaser Module: EXPECTED LLG OF ENSEMBLES                                2.6.1 ***
*************************************************************************************

   Resolution of Data:    2.722
   Number of Reflections: 9368
   eLLG Target:           120

   Currently Placed Ensembles
   --------------------------
      # 1 ensemble1
      # 2 ensemble1
      # 3 ensemble1
      # 4 ensemble1

   eLLG Values Computed for All Data
   ---------------------------------
   target-reso: Resolution to achieve target eLLG of 120
   eLLG-when-added: eLLG of this component when added to already placed components
   Ensemble                    frac-scat     rms        reso  eLLG-when-added
   ensemble1                      0.17     0.362        2.72           1397.7 

   Resolution for eLLG target
   --------------------------
   Ensemble                   eLLG-target  target-reso
   ensemble1                       120.00        4.732  

CPU Time: 0 days 0 hrs 17 mins 27.80 secs (   1047.80 secs)
Finished: Thu Apr 21 17:59:47 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT ROTATION FUNCTION                  2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

--------------------------
DATA FOR ROTATION FUNCTION
--------------------------


   High resolution limit unaltered by RMS of ensemble
   High resolution limit lowered by expected LLG =  4.73


   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)

   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   4.73  34.48 (1777)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711

-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (1777)
                               - half number of centrics (0/2)
                             = -1777
   With correction for SigF,
      Wilson log(likelihood) = -1435.9

----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

-----------------
ROTATION FUNCTION
-----------------

   Elmn for Search Ensemble
   Spreading calculation onto 2 threads.
   Elmn Calculation for Search Ensemble
   0%                                                               100%
   |================================================================| DONE

   Target Function: FAST LERF1

--------------------------
ROTATION FUNCTION #1 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170 RF++ TFZ=19.9 +TNCS PAK=0 LLG=61
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170 RF++ TFZ=19.9 +TNCS PAK=0 LLG=61
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  276.4  107.3  137.7 FRAC -0.24  0.27  0.00 BFAC
    20.36
   SOLU 6DIM ENSE ensemble1 EULER  153.1  106.8  139.7 FRAC  0.02  0.24  0.33 BFAC
    20.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 554 sites over 67.5% of top
   554 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      292.3   78.3  209.1    100.000  3.13
   2      173.7   76.8  205.7     99.113  3.11
   3       30.3   44.7  166.7     96.834  3.03
   #Sites = 554: output truncated to 3 sites

   Top 554 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #1 of 75
   0%                                                                     100%
   |======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #1 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -47.2679   ( 3.59)


   New Top (ML) Rotation Function Score (RFZ) = -47.27 (RFZ=3.6) at RF #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 59 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -47.268  3.59   0.0      3     73.059/    76.259
   2      271.9   76.8  205.7    -53.949  3.28 149.9      1     95.874/    95.874
   3      292.3   78.3  209.1    -54.113  3.27 152.1      2    100.000/   100.000
   #SITES = 59: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #2 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RF++ TFZ=19.4 +TNCS PAK=0 LLG=61
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RF++ TFZ=19.4 +TNCS PAK=0 LLG=61
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  278.0  105.9  139.7 FRAC  0.60  0.69 -0.01 BFAC
    22.03
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.9  138.0 FRAC  0.60  1.19 -0.01 BFAC
    22.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 627 sites over 67.5% of top
   627 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  2.98
   2      271.9   76.8  205.7     99.905  2.97
   3      173.7   76.8  205.7     99.494  2.96
   #Sites = 627: output truncated to 3 sites

   Top 627 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #2 of 75
   0%                                                              100%
   |===============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #2 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -51.5123   ( 3.98)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 39 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -51.512  3.98   0.0      4     87.532/    87.532
   2      287.2  100.1  224.2    -63.120  3.39 178.5      1     75.554/    75.554
   3      271.9   76.8  205.7    -65.753  3.26 149.9      1     99.905/    99.905
   #SITES = 39: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #3 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=60
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=60
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.5  138.9 FRAC  0.76  1.27 -0.00 BFAC
    21.83
   SOLU 6DIM ENSE ensemble1 EULER   37.8  106.3  137.0 FRAC  0.24  0.99 -0.34 BFAC
    21.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 484 sites over 67.5% of top
   484 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      273.1   47.6  166.6    100.000  3.21
   2       30.3   44.7  166.7     98.842  3.18
   3      123.3   44.3  166.7     94.260  3.03
   #Sites = 484: output truncated to 3 sites

   Top 484 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #3 of 75
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #3 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -36.6244   ( 3.49)


   New Top (ML) Rotation Function Score (RFZ) = -36.62 (RFZ=3.5) at RF #3

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 53 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -36.624  3.49   0.0      2     74.956/    74.956
   2       99.0   35.2  190.7    -42.806  3.18 179.7      4     65.183/    65.870
   3      146.7  145.7    8.4    -43.691  3.14 132.6      2     57.579/    72.451
   #SITES = 53: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #4 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=163 RF++ TFZ=19.6 +TNCS PAK=0 LLG=57
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=163 RF++ TFZ=19.6 +TNCS PAK=0 LLG=57
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  279.6  102.9  140.8 FRAC  0.81  1.15 -0.01 BFAC
    18.97
   SOLU 6DIM ENSE ensemble1 EULER  279.0  103.8  139.7 FRAC  0.81  1.66 -0.01 BFAC
    18.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 630 sites over 67.5% of top
   630 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       52.0   89.1   29.0    100.000  2.93
   2       34.0  100.6  212.0     99.513  2.92
   3      111.3   45.6  166.6     97.951  2.87
   #Sites = 630: output truncated to 3 sites

   Top 630 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #4 of 75
   0%                                                               100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #4 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -63.988   ( 3.53)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 60 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -63.988  3.53   0.0      5     85.047/    85.047
   2      163.2   59.5  168.2    -72.457  3.13 175.6      1     83.433/    83.433
   3       94.2   31.8  198.2    -74.842  3.01 174.5      1     61.395/    61.395
   #SITES = 60: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #5 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=57
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=57
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  276.5  105.6  140.2 FRAC -0.41  0.43 -0.00 BFAC
    22.16
   SOLU 6DIM ENSE ensemble1 EULER   36.3  107.3  137.4 FRAC  0.06  0.66 -0.34 BFAC
    22.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 490 sites over 67.5% of top
   490 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.20
   2      273.1   47.6  166.6     98.114  3.14
   3      292.3   78.3  209.1     95.929  3.07
   #Sites = 490: output truncated to 3 sites

   Top 490 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #5 of 75
   0%                                                             100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #5 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -45.7722   ( 3.76)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -45.772  3.76   0.0      2     78.028/    78.028
   2      292.3   78.3  209.1    -52.473  3.43 152.1      2     95.929/    95.929
   3      271.9   76.8  205.7    -54.796  3.31 149.9      1     87.812/    87.812
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #6 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=178 RF++ TFZ=19.7 +TNCS PAK=0 LLG=54
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=178 RF++ TFZ=19.7 +TNCS PAK=0 LLG=54
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  278.8  106.1  141.5 FRAC  0.72  0.88 -0.01 BFAC
    21.84
   SOLU 6DIM ENSE ensemble1 EULER  276.6  104.9  139.1 FRAC  0.72  0.38 -0.00 BFAC
    21.84
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 512 sites over 67.5% of top
   512 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      173.7   76.8  205.7    100.000  3.15
   2       55.2   74.8  202.5     98.630  3.11
   3      292.3   78.3  209.1     97.662  3.08
   #Sites = 512: output truncated to 3 sites

   Top 512 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #6 of 75
   0%                                                                100%
   |=================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #6 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -56.2245   ( 3.70)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 50 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -56.224  3.70   0.0      2     74.652/    74.652
   2      271.9   76.8  205.7    -61.904  3.42 149.9      1     91.753/    91.753
   3      292.3   78.3  209.1    -67.623  3.15 152.1      2     97.662/    97.662
   #SITES = 50: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #7 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.8 +TNCS PAK=0 LLG=53
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.8 +TNCS PAK=0 LLG=53
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  279.2  105.7  138.0 FRAC  0.73  0.58 -0.00 BFAC
    21.42
   SOLU 6DIM ENSE ensemble1 EULER  156.6  105.1  141.3 FRAC  0.36  0.28  0.33 BFAC
    21.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 652 sites over 67.5% of top
   652 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      123.3   44.3  166.7    100.000  2.97
   2       99.2   47.0  166.6     99.293  2.95
   3       52.0   89.1   29.0     97.135  2.89
   #Sites = 652: output truncated to 3 sites

   Top 652 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #7 of 75
   0%                                                                 100%
   |==================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #7 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -38.8007   ( 3.75)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 51 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -38.801  3.75   0.0      3     93.688/    93.688
   2       99.0   35.2  190.7    -43.831  3.49 179.7      3     63.702/    70.071
   3      271.9   76.8  205.7    -49.020  3.22 149.9      1     94.163/    94.163
   #SITES = 51: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #8 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=19.7 +TNCS PAK=0 LLG=50
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=19.7 +TNCS PAK=0 LLG=50
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  288.7  107.1  137.2 FRAC  0.60  0.91 -0.00 BFAC
    25.03
   SOLU 6DIM ENSE ensemble1 EULER  273.6  105.8  139.6 FRAC  0.59  1.45 -0.00 BFAC
    25.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 435 sites over 67.5% of top
   435 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      273.1   47.6  166.6    100.000  3.42
   2       30.3   44.7  166.7     99.847  3.41
   3      200.3  130.2  358.6     98.201  3.36
   #Sites = 435: output truncated to 3 sites

   Top 435 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #8 of 75
   0%                                                                        100%
   |=========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #8 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -3.11187   ( 3.57)


   New Top (ML) Rotation Function Score (RFZ) = -3.11 (RFZ=3.6) at RF #8

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 55 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -3.1119  3.57   0.0      3     72.771/    72.771
   2      200.3  130.2  358.6    -3.8666  3.53 171.5      2     98.201/    98.201
   3       99.0   35.2  190.7   -10.0621  3.14 179.7      3     56.547/    62.142
   #SITES = 55: OUTPUT TRUNCATED TO 3 SITES

--------------------------
ROTATION FUNCTION #9 OF 75
--------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.3 +TNCS PAK=0 LLG=49
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.3 +TNCS PAK=0 LLG=49
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  267.3  106.1  135.0 FRAC -0.23  0.80  0.00 BFAC
    22.04
   SOLU 6DIM ENSE ensemble1 EULER  269.3  107.8  138.7 FRAC -0.24  1.30 -0.01 BFAC
    22.04
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 545 sites over 67.5% of top
   545 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      173.7   76.8  205.7    100.000  3.15
   2      292.3   78.3  209.1     99.361  3.13
   3      271.9   76.8  205.7     98.566  3.10
   #Sites = 545: output truncated to 3 sites

   Top 545 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #9 of 75
   0%                                                                    100%
   |=====================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #9 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -61.0324   ( 3.66)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 51 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      292.3   78.3  209.1    -61.032  3.66   0.0      2     99.361/    99.361
   2       43.7   78.4   44.5    -62.947  3.57 152.1      4     77.513/    81.622
   3      271.9   76.8  205.7    -67.161  3.37  21.5      1     98.566/    98.566
   #SITES = 51: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #10 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=171 RF++ TFZ=19.5 +TNCS PAK=0 LLG=48
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=171 RF++ TFZ=19.5 +TNCS PAK=0 LLG=48
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  277.0  104.5  140.9 FRAC  0.49  0.99 -0.00 BFAC
    21.45
   SOLU 6DIM ENSE ensemble1 EULER  275.2  105.2  144.4 FRAC  0.48  1.48 -0.00 BFAC
    21.45
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 429 sites over 67.5% of top
   429 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.24
   2      132.3  133.5  359.3     98.301  3.19
   3       30.3   44.7  166.7     92.271  2.99
   #Sites = 429: output truncated to 3 sites

   Top 429 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #10 of 75
   0%                                                                       100%
   |========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #10 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -58.7765   ( 3.82)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -58.776  3.82   0.0      3     79.539/    79.539
   2      224.5   53.0  166.9    -67.325  3.39 137.3      3     75.316/    78.901
   3       34.1  112.7   28.1    -73.620  3.08  38.7      1     61.116/    61.116
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #11 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RF++ TFZ=19.8 +TNCS PAK=0 LLG=47
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RF++ TFZ=19.8 +TNCS PAK=0 LLG=47
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  278.4  105.2  143.6 FRAC -0.45  0.24 -0.01 BFAC
    22.17
   SOLU 6DIM ENSE ensemble1 EULER  276.2  104.4  140.1 FRAC  0.56  0.75 -0.01 BFAC
    22.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 570 sites over 67.5% of top
   570 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       55.2   74.8  202.5    100.000  3.04
   2      168.0   49.3  166.6     97.192  2.95
   3      155.8   50.6  166.7     97.098  2.95
   #Sites = 570: output truncated to 3 sites

   Top 570 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #11 of 75
   0%                                                                       100%
   |========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #11 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -60.9927   ( 3.73)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 51 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -60.993  3.73   0.0      2     83.791/    83.791
   2      271.9   76.8  205.7    -67.957  3.39 149.9      1     85.164/    85.164
   3      224.5   53.0  166.9    -69.185  3.32 137.3      1     78.141/    78.141
   #SITES = 51: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #12 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=161 RF++ TFZ=20.3 +TNCS PAK=0 LLG=46
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=161 RF++ TFZ=20.3 +TNCS PAK=0 LLG=46
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.3 FRAC  0.22  0.58  0.00 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  274.0  107.4  140.6 FRAC  0.22  1.08 -0.01 BFAC 
    0.90
   SOLU 6DIM ENSE ensemble1 EULER  270.7  104.4  136.9 FRAC -0.28  0.60 -0.00 BFAC
    21.87
   SOLU 6DIM ENSE ensemble1 EULER   28.7  108.3  136.6 FRAC -0.10  0.62 -0.34 BFAC
    21.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 588 sites over 67.5% of top
   588 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.06
   2       99.2   47.0  166.6     97.999  3.00
   3      341.9   50.0  166.6     95.533  2.92
   #Sites = 588: output truncated to 3 sites

   Top 588 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #12 of 75
   0%                                                                         100%
   |==========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #12 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -57.4904   ( 3.73)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 53 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -57.490  3.73   0.0      4     83.988/    83.988
   2       99.0   35.2  190.7    -67.713  3.22 179.7      3     55.300/    68.537
   3      104.3  109.3  132.5    -70.998  3.06 103.0      1     62.960/    62.960
   #SITES = 53: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #13 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RF++ TFZ=19.5 +TNCS PAK=0 LLG=44
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RF++ TFZ=19.5 +TNCS PAK=0 LLG=44
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  264.6  105.7  134.6 FRAC -0.17  0.54  0.00 BFAC
    23.15
   SOLU 6DIM ENSE ensemble1 EULER  268.7  105.8  137.5 FRAC -0.17  0.03 -0.00 BFAC
    23.15
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 444 sites over 67.5% of top
   444 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.29
   2      153.4   74.8  202.5     94.625  3.11
   3      111.3   45.6  166.6     91.898  3.02
   #Sites = 444: output truncated to 3 sites

   Top 444 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #13 of 75
   0%                                                                          100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #13 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -64.5624   ( 3.51)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 56 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -64.562  3.51   0.0      4     75.701/    75.701
   2      224.5   53.0  166.9    -67.831  3.34 137.3      2     82.022/    82.022
   3      271.9   76.8  205.7    -69.374  3.27 149.9      1    100.000/   100.000
   #SITES = 56: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #14 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156 RF++ TFZ=19.0 +TNCS PAK=0 LLG=44
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156 RF++ TFZ=19.0 +TNCS PAK=0 LLG=44
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  278.9  106.0  139.8 FRAC -0.50  0.59 -0.01 BFAC
    21.48
   SOLU 6DIM ENSE ensemble1 EULER  279.0  106.5  142.5 FRAC -0.50  1.09 -0.01 BFAC
    21.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 566 sites over 67.5% of top
   566 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       38.1   89.4  209.2    100.000  3.03
   2      173.7   76.8  205.7     95.847  2.91
   3       52.0   89.1   29.0     95.687  2.90
   #Sites = 566: output truncated to 3 sites

   Top 566 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #14 of 75
   0%                                                                      100%
   |=======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #14 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -69.5456   ( 3.66)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 51 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -69.546  3.66   0.0      4     95.281/    95.281
   2      271.9   76.8  205.7    -81.056  3.10 149.9      1     93.551/    93.551
   3      224.5   53.0  166.9    -81.756  3.07 137.3      1     70.654/    70.654
   #SITES = 51: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #15 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RF++ TFZ=19.4 +TNCS PAK=0 LLG=42
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RF++ TFZ=19.4 +TNCS PAK=0 LLG=42
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  268.5  109.7  134.4 FRAC  0.65  0.58 -0.00 BFAC
    23.40
   SOLU 6DIM ENSE ensemble1 EULER  151.1  107.7  139.5 FRAC  0.42  0.35 -0.33 BFAC
    23.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 445 sites over 67.5% of top
   445 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.25
   2       99.2   47.0  166.6     99.468  3.24
   3      271.9   76.8  205.7     98.433  3.20
   #Sites = 445: output truncated to 3 sites

   Top 445 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #15 of 75
   0%                                                                          100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #15 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -54.5041   ( 3.65)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 50 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -54.504  3.65   0.0      2     70.690/    70.690
   2      271.9   76.8  205.7    -59.168  3.41 149.9      1     98.433/    98.433
   3      224.5   53.0  166.9    -62.416  3.25 137.3      1     81.184/    81.184
   #SITES = 50: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #16 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RF++ TFZ=19.5 +TNCS PAK=0 LLG=41
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RF++ TFZ=19.5 +TNCS PAK=0 LLG=41
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.5  104.7  141.1 FRAC -0.38  0.68 -0.00 BFAC
    23.98
   SOLU 6DIM ENSE ensemble1 EULER  278.0  107.8  138.5 FRAC -0.37  1.19 -0.01 BFAC
    23.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 470 sites over 67.5% of top
   470 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       55.2   74.8  202.5    100.000  3.20
   2      173.7   76.8  205.7     97.969  3.14
   3       30.3   44.7  166.7     97.930  3.14
   #Sites = 470: output truncated to 3 sites

   Top 470 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #16 of 75
   0%                                                          100%
   |===========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #16 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -52.6087   ( 3.93)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 37 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -52.609  3.93   0.0      3     87.818/    87.818
   2      200.3  130.2  358.6    -69.731  3.07 171.5      1     93.057/    93.057
   3      271.9   76.8  205.7    -69.898  3.06 149.9      1     90.917/    90.917
   #SITES = 37: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #17 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RF++ TFZ=19.5 +TNCS PAK=0 LLG=40
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RF++ TFZ=19.5 +TNCS PAK=0 LLG=40
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  270.8  104.3  142.5 FRAC -0.45  0.58  0.00 BFAC
    22.10
   SOLU 6DIM ENSE ensemble1 EULER  272.3  103.4  138.9 FRAC -0.44  0.09 -0.00 BFAC
    22.10
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 613 sites over 67.5% of top
   613 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.01
   2      322.2  159.0  330.0     98.778  2.97
   3       82.2  159.0  330.0     98.778  2.97
   #Sites = 613: output truncated to 3 sites

   Top 613 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #17 of 75
   0%                                                             100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #17 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -62.4493   ( 4.09)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 34 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -62.449  4.09   0.0      3     84.282/    84.282
   2       99.0   35.2  190.7    -76.544  3.41 179.7      3     62.834/    68.916
   3      271.9   76.8  205.7    -79.218  3.28 149.9      1     95.367/    95.367
   #SITES = 34: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #18 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=162 RF++ TFZ=19.3 +TNCS PAK=0 LLG=39
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=162 RF++ TFZ=19.3 +TNCS PAK=0 LLG=39
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.5  140.3 FRAC  0.29  0.14  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.5  138.5 FRAC  0.29 -0.36 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  274.5  106.1  143.0 FRAC  0.79  0.13 -0.00 BFAC
    23.00
   SOLU 6DIM ENSE ensemble1 EULER  274.2  113.8  139.3 FRAC  0.79  0.62 -0.01 BFAC
    23.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 483 sites over 67.5% of top
   483 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.16
   2      273.1   47.6  166.6     99.524  3.15
   3      111.3   45.6  166.6     97.957  3.10
   #Sites = 483: output truncated to 3 sites

   Top 483 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #18 of 75
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #18 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -55.9603   ( 3.88)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 32 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -55.960  3.88   0.0      3     87.783/    87.783
   2       99.0   35.2  190.7    -67.502  3.29 179.7      2     55.355/    56.289
   3      292.3   78.3  209.1    -68.823  3.22 152.1      2     89.770/    89.770
   #SITES = 32: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #19 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=18.7 +TNCS PAK=0 LLG=38
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=18.7 +TNCS PAK=0 LLG=38
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.2 FRAC  0.15  0.38  0.00 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  273.3  108.7  140.5 FRAC  0.15  0.88 -0.01 BFAC 
    1.27
   SOLU 6DIM ENSE ensemble1 EULER  270.3  107.6  139.1 FRAC  0.65  0.90 -0.00 BFAC
    23.11
   SOLU 6DIM ENSE ensemble1 EULER  269.1  104.8  140.8 FRAC  0.65  0.40 -0.01 BFAC
    23.11
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 513 sites over 67.5% of top
   513 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      322.2  159.0  330.0    100.000  3.20
   2      202.2  159.0  330.0    100.000  3.20
   3       82.2  159.0  330.0    100.000  3.20
   #Sites = 513: output truncated to 3 sites

   Top 513 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #19 of 75
   0%                                                                100%
   |=================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #19 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -64.4799   ( 3.31)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 70 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      271.9   76.8  205.7    -64.480  3.31   0.0      1     93.319/    93.319
   2       33.9   89.5   45.4    -66.510  3.21 158.7      1     67.960/    67.960
   3       43.7   78.4   44.5    -66.562  3.20 149.9      3     75.045/    76.958
   #SITES = 70: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #20 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RF++ TFZ=19.7 +TNCS PAK=0 LLG=38
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RF++ TFZ=19.7 +TNCS PAK=0 LLG=38
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.9  138.1 FRAC -0.35  0.05 -0.00 BFAC
    24.20
   SOLU 6DIM ENSE ensemble1 EULER  279.1  107.8  140.7 FRAC -0.35 -0.46 -0.01 BFAC
    24.20
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 435 sites over 67.5% of top
   435 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.39
   2      153.4   74.8  202.5     95.921  3.25
   3      173.7   76.8  205.7     91.063  3.09
   #Sites = 435: output truncated to 3 sites

   Top 435 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #20 of 75
   0%                                                                        100%
   |=========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #20 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -43.6479   ( 4.07)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 28 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -43.648  4.07   0.0      4     82.618/    82.618
   2      271.9   76.8  205.7    -57.709  3.36 149.9      1    100.000/   100.000
   3       34.1  112.7   28.1    -62.096  3.14  38.7      1     77.164/    77.164
   #SITES = 28: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #21 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164 RF++ TFZ=19.1 +TNCS PAK=0 LLG=36
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164 RF++ TFZ=19.1 +TNCS PAK=0 LLG=36
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  278.6  106.0  140.3 FRAC -0.35  0.02 -0.01 BFAC
    23.98
   SOLU 6DIM ENSE ensemble1 EULER  276.2  104.5  140.8 FRAC  0.65  0.52 -0.01 BFAC
    23.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 549 sites over 67.5% of top
   549 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      168.0   49.3  166.6    100.000  3.01
   2      274.0   22.1  153.7     98.997  2.98
   3      285.2   46.3  166.6     97.862  2.95
   #Sites = 549: output truncated to 3 sites

   Top 549 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #21 of 75
   0%                                                                    100%
   |=====================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #21 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -83.3157   ( 3.51)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 63 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -83.316  3.51   0.0      3     79.846/    79.846
   2       99.0   35.2  190.7    -85.424  3.41 179.7      3     69.577/    75.697
   3      271.9   76.8  205.7    -87.026  3.33 149.9      1     89.930/    89.930
   #SITES = 63: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #22 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157 RF++ TFZ=19.1 +TNCS PAK=0 LLG=35
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157 RF++ TFZ=19.1 +TNCS PAK=0 LLG=35
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.0  138.1 FRAC  0.50  1.27 -0.01 BFAC
    23.19
   SOLU 6DIM ENSE ensemble1 EULER  271.3  106.4  141.4 FRAC  0.51  0.76 -0.00 BFAC
    23.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 463 sites over 67.5% of top
   463 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      168.0   49.3  166.6    100.000  3.25
   2      285.2   46.3  166.6     98.014  3.19
   3      271.9   76.8  205.7     95.451  3.11
   #Sites = 463: output truncated to 3 sites

   Top 463 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #22 of 75
   0%                                                         100%
   |===========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #22 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -75.3814   ( 3.52)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 54 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -75.381  3.52   0.0      4     84.069/    84.069
   2      271.9   76.8  205.7    -77.359  3.42 149.9      1     95.451/    95.451
   3      224.5   53.0  166.9    -81.128  3.24 137.3      1     70.467/    70.467
   #SITES = 54: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #23 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158 RF++ TFZ=18.6 +TNCS PAK=0 LLG=35
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158 RF++ TFZ=18.6 +TNCS PAK=0 LLG=35
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.8  138.3 FRAC  0.14  0.57  0.00 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.4  139.6 FRAC  0.13  1.07 -0.01 BFAC 
    1.19
   SOLU 6DIM ENSE ensemble1 EULER  275.5  106.1  140.7 FRAC -0.36  0.55  0.00 BFAC
    22.66
   SOLU 6DIM ENSE ensemble1 EULER   38.5  105.7  140.8 FRAC -0.05  0.58  0.33 BFAC
    22.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 451 sites over 67.5% of top
   451 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      168.0   49.3  166.6    100.000  3.33
   2      285.2   46.3  166.6     97.807  3.26
   3      111.3   45.6  166.6     92.696  3.09
   #Sites = 451: output truncated to 3 sites

   Top 451 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #23 of 75
   0%                                                                           100%
   |============================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #23 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -78.0805   ( 3.38)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 61 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -78.080  3.38   0.0      3     72.014/    72.576
   2      271.9   76.8  205.7    -80.537  3.26 149.9      1     84.947/    84.947
   3      224.5   53.0  166.9    -85.395  3.03 137.3      2     65.967/    77.088
   #SITES = 61: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #24 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159 RF++ TFZ=18.8 +TNCS PAK=0 LLG=34
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159 RF++ TFZ=18.8 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  275.6  105.8  139.0 FRAC  0.58  0.90 -0.00 BFAC
    22.46
   SOLU 6DIM ENSE ensemble1 EULER  278.2  112.8  140.1 FRAC -0.42  0.39 -0.01 BFAC
    22.46
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 512 sites over 67.5% of top
   512 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      181.1  149.5  327.8    100.000  3.19
   2       61.1  149.5  327.8    100.000  3.19
   3      301.1  149.5  327.8    100.000  3.19
   #Sites = 512: output truncated to 3 sites

   Top 512 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #24 of 75
   0%                                                                100%
   |=================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #24 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -45.4576   ( 3.73)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 39 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -45.458  3.73   0.0      3     85.106/    85.106
   2      308.8   98.1  231.6    -52.027  3.39 177.9      1     78.234/    78.234
   3       99.0   35.2  190.7    -52.517  3.36 179.7      3     64.773/    67.597
   #SITES = 39: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #25 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=19.0 +TNCS PAK=0 LLG=34
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=19.0 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  266.9  107.0  140.1 FRAC  0.64  1.32  0.01 BFAC
    24.47
   SOLU 6DIM ENSE ensemble1 EULER  271.9  108.0  139.6 FRAC  0.62  1.81 -0.00 BFAC
    24.47
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 503 sites over 67.5% of top
   503 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.18
   2       82.2  159.0  330.0     98.829  3.14
   3      322.2  159.0  330.0     98.829  3.14
   #Sites = 503: output truncated to 3 sites

   Top 503 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #25 of 75
   0%                                                              100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #25 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -42.3271   ( 3.92)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 33 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -42.327  3.92   0.0      2     81.850/    81.850
   2      224.5   53.0  166.9    -53.236  3.36 137.3      1     83.176/    83.176
   3      292.3   78.3  209.1    -56.800  3.17 152.1      2     89.754/    89.754
   #SITES = 33: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #26 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=18.9 +TNCS PAK=0 LLG=34
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=18.9 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  265.5  110.9  134.6 FRAC -0.37  0.83  0.00 BFAC
    24.70
   SOLU 6DIM ENSE ensemble1 EULER  275.5  108.1  139.0 FRAC -0.37  0.30 -0.00 BFAC
    24.70
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 534 sites over 67.5% of top
   534 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      297.3   45.0  166.7    100.000  3.19
   2      168.0   49.3  166.6     97.394  3.10
   3      285.2   46.3  166.6     96.280  3.07
   #Sites = 534: output truncated to 3 sites

   Top 534 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #26 of 75
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #26 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -44.5044   ( 3.69)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 50 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       32.9   79.3   48.5    -44.504  3.69   0.0      2     77.377/    77.377
   2       99.0   35.2  190.7    -49.370  3.42 176.8      3     63.187/    66.660
   3      104.3  109.3  132.5    -52.431  3.25 104.5      2     60.634/    60.634
   #SITES = 50: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #27 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=169 RF++ TFZ=18.1 +TNCS PAK=0 LLG=33
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=169 RF++ TFZ=18.1 +TNCS PAK=0 LLG=33
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.9  136.6 FRAC  0.28  0.84  0.00 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.2  140.6 FRAC  0.28  1.34 -0.01 BFAC 
    0.52
   SOLU 6DIM ENSE ensemble1 EULER  277.4  108.7  141.8 FRAC -0.23  0.81 -0.00 BFAC
    24.49
   SOLU 6DIM ENSE ensemble1 EULER  275.2  107.3  141.6 FRAC  0.77  1.32 -0.01 BFAC
    24.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 617 sites over 67.5% of top
   617 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.03
   2      200.3  130.2  358.6     99.693  3.02
   3      323.8  131.2  358.8     99.411  3.01
   #Sites = 617: output truncated to 3 sites

   Top 617 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #27 of 75
   0%                                                             100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #27 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -63.8149   ( 3.84)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 47 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -63.815  3.84   0.0      3     93.845/    93.845
   2      292.3   78.3  209.1    -74.340  3.31 152.1      2     96.642/    96.642
   3      200.3  130.2  358.6    -76.522  3.20 171.5      1     99.693/    99.693
   #SITES = 47: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #28 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159 RF++ TFZ=18.7 +TNCS PAK=0 LLG=32
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159 RF++ TFZ=18.7 +TNCS PAK=0 LLG=32
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  275.5  116.0  141.1 FRAC  0.67  1.41 -0.00 BFAC
    22.68
   SOLU 6DIM ENSE ensemble1 EULER  154.5  109.4  141.5 FRAC  0.24  1.32 -0.34 BFAC
    22.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 373 sites over 67.5% of top
   373 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       43.7   78.4   44.5    100.000  3.43
   2      160.1   78.7   45.9     96.551  3.31
   3      287.4   78.2   43.2     94.635  3.24
   #Sites = 373: output truncated to 3 sites

   Top 373 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #28 of 75
   0%                                                              100%
   |===============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #28 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -42.5792   ( 4.16)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 19 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -42.579  4.16   0.0      3    100.000/   100.000
   2      271.9   76.8  205.7    -59.393  3.33 149.9      1     92.444/    92.444
   3       34.1  112.7   28.1    -63.927  3.10  38.7      1     66.996/    66.996
   #SITES = 19: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #29 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=163 RF++ TFZ=18.9 +TNCS PAK=0 LLG=32
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=163 RF++ TFZ=18.9 +TNCS PAK=0 LLG=32
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.0  139.4 FRAC  0.00  0.12  0.00 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.4  137.9 FRAC  0.01  0.62 -0.01 BFAC 
    0.63
   SOLU 6DIM ENSE ensemble1 EULER  273.9  105.5  137.2 FRAC -0.50  0.11 -0.00 BFAC
    24.49
   SOLU 6DIM ENSE ensemble1 EULER  279.1  106.6  137.7 FRAC  0.51  0.60 -0.00 BFAC
    24.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 484 sites over 67.5% of top
   484 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      273.1   47.6  166.6    100.000  3.22
   2       30.3   44.7  166.7     98.461  3.17
   3      155.8   50.6  166.7     96.080  3.09
   #Sites = 484: output truncated to 3 sites

   Top 484 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #29 of 75
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #29 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -53.3196   ( 4.06)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 30 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -53.320  4.06   0.0      3     86.062/    86.062
   2       99.0   35.2  190.7    -72.372  3.10 179.7      3     54.768/    58.706
   3      102.1   15.0  161.6    -72.525  3.09 168.2      2     56.402/    70.138
   #SITES = 30: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #30 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=18.5 +TNCS PAK=0 LLG=32
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=18.5 +TNCS PAK=0 LLG=32
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  280.6  114.2  138.0 FRAC  0.51  0.78 -0.00 BFAC
    25.58
   SOLU 6DIM ENSE ensemble1 EULER  274.2  106.6  140.8 FRAC  0.50  0.30 -0.01 BFAC
    25.58
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 399 sites over 67.5% of top
   399 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      154.0   23.7  152.8    100.000  3.41
   2       33.8   25.3  152.1     97.671  3.33
   3      274.0   22.1  153.7     96.104  3.28
   #Sites = 399: output truncated to 3 sites

   Top 399 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #30 of 75
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #30 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -39.9672   ( 3.49)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 46 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       32.9   79.3   48.5    -39.967  3.49   0.0      3     88.432/    88.432
   2       34.1  112.7   28.1    -41.988  3.38  39.1      2     79.900/    79.900
   3      271.9   76.8  205.7    -47.103  3.10 148.2      1     83.265/    83.265
   #SITES = 46: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #31 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159 RF++ TFZ=19.0 +TNCS PAK=0 LLG=30
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159 RF++ TFZ=19.0 +TNCS PAK=0 LLG=30
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  275.7  107.5  143.2 FRAC -0.32  0.93 -0.01 BFAC
    23.25
   SOLU 6DIM ENSE ensemble1 EULER  280.3  104.7  142.6 FRAC  0.67  1.42 -0.01 BFAC
    23.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 466 sites over 67.5% of top
   466 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.20
   2       43.7   78.4   44.5     96.425  3.09
   3       99.2   47.0  166.6     96.069  3.08
   #Sites = 466: output truncated to 3 sites

   Top 466 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #31 of 75
   0%                                                          100%
   |===========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #31 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -67.2417   ( 3.91)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 32 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -67.242  3.91   0.0      3     96.425/    96.425
   2      271.9   76.8  205.7    -77.533  3.40 149.9      1     93.493/    93.493
   3      224.5   53.0  166.9    -80.012  3.28 137.3      1     73.247/    73.247
   #SITES = 32: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #32 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=164 RF++ TFZ=18.7 +TNCS PAK=0 LLG=30
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=164 RF++ TFZ=18.7 +TNCS PAK=0 LLG=30
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.0  135.6 FRAC  0.26  0.55 -0.00 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.5  139.0 FRAC  0.26  1.05 -0.01 BFAC 
    0.86
   SOLU 6DIM ENSE ensemble1 EULER  271.5  105.1  136.7 FRAC  0.76  1.07 -0.01 BFAC
    25.33
   SOLU 6DIM ENSE ensemble1 EULER  271.5  103.2  135.4 FRAC -0.24  0.57 -0.00 BFAC
    25.33
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 565 sites over 67.5% of top
   565 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      173.7   76.8  205.7    100.000  3.02
   2        9.8   20.8  154.5     98.434  2.97
   3      250.0   22.4  153.5     97.688  2.95
   #Sites = 565: output truncated to 3 sites

   Top 565 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #32 of 75
   0%                                                                      100%
   |=======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #32 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -67.7623   ( 3.78)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 43 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -67.762  3.78   0.0      3     77.721/    77.721
   2      292.3   78.3  209.1    -82.941  3.03 152.1      2     97.443/    97.443
   3      308.8   98.1  231.6    -83.798  2.99 177.9      1     78.198/    78.198
   #SITES = 43: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #33 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156 RF++ TFZ=18.7 +TNCS PAK=0 LLG=29
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156 RF++ TFZ=18.7 +TNCS PAK=0 LLG=29
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  275.1  108.4  141.7 FRAC  0.50  1.10 -0.01 BFAC
    25.97
   SOLU 6DIM ENSE ensemble1 EULER  267.5  116.1  133.0 FRAC  0.51  0.63 -0.00 BFAC
    25.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 382 sites over 67.5% of top
   382 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.40
   2      111.3   45.6  166.6     98.484  3.35
   3       30.5   78.3  209.1     94.433  3.21
   #Sites = 382: output truncated to 3 sites

   Top 382 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #33 of 75
   0%                                                               100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #33 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -39.9424   ( 3.43)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 42 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -39.942  3.43   0.0      3     72.052/    72.052
   2      271.9   76.8  205.7    -44.707  3.15 149.9      1    100.000/   100.000
   3      225.7  100.3   28.7    -44.735  3.15 178.2      1     66.972/    66.972
   #SITES = 42: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #34 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166 RF++ TFZ=19.6 +TNCS PAK=0 LLG=28
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166 RF++ TFZ=19.6 +TNCS PAK=0 LLG=28
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04 -0.23 -0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  185.1   67.2  323.0 FRAC -0.47 -0.24 -0.01 BFAC
    23.43
   SOLU 6DIM ENSE ensemble1 EULER  190.3   63.7  319.2 FRAC -0.45  0.27 -0.01 BFAC
    23.43
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 358 sites over 67.5% of top
   358 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      310.9  100.5  221.5    100.000  3.39
   2       67.6  100.7  218.4     98.845  3.35
   3      222.1  136.1    0.2     96.645  3.28
   #Sites = 358: output truncated to 3 sites

   Top 358 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #34 of 75
   0%                                                           100%
   |============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #34 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -61.8266   ( 3.62)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 44 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      194.2  100.0  224.5    -61.827  3.62   0.0      1     94.278/    94.278
   2       34.1  112.7   28.1    -64.482  3.49 151.0      1     65.739/    65.739
   3       43.7   78.4   44.5    -67.203  3.35 178.5      1     59.867/    59.867
   #SITES = 44: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #35 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158 RF++ TFZ=18.3 +TNCS PAK=0 LLG=28
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=158 RF++ TFZ=18.3 +TNCS PAK=0 LLG=28
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.5  139.4 FRAC  0.09  0.86  0.00 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.2  139.8 FRAC  0.09  1.36 -0.01 BFAC 
    0.96
   SOLU 6DIM ENSE ensemble1 EULER  272.7  102.0  142.3 FRAC  0.59  1.38 -0.01 BFAC
    23.15
   SOLU 6DIM ENSE ensemble1 EULER  272.4  104.8  141.0 FRAC  0.59  0.87 -0.00 BFAC
    23.15
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 611 sites over 67.5% of top
   611 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      200.3  130.2  358.6    100.000  3.04
   2      111.3   45.6  166.6     98.835  3.01
   3       30.3   44.7  166.7     98.083  2.98
   #Sites = 611: output truncated to 3 sites

   Top 611 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #35 of 75
   0%                                                             100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #35 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -72.8356   ( 3.79)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 51 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -72.836  3.79   0.0      5     79.857/    79.857
   2      200.3  130.2  358.6    -83.568  3.26 171.5      2    100.000/   100.000
   3      271.9   76.8  205.7    -85.053  3.18 149.9      1     94.407/    94.407
   #SITES = 51: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #36 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164 RF++ TFZ=18.9 +TNCS PAK=0 LLG=28
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.2 +TNCS PAK=0 LLG=164 RF++ TFZ=18.9 +TNCS PAK=0 LLG=28
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.8  138.9 FRAC  0.15  0.03  0.00 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.4  139.4 FRAC  0.16  0.53 -0.01 BFAC 
    0.64
   SOLU 6DIM ENSE ensemble1 EULER  271.0  105.5  140.6 FRAC  0.66  0.53 -0.00 BFAC
    25.06
   SOLU 6DIM ENSE ensemble1 EULER  142.2  108.4  136.2 FRAC  0.38  0.33 -0.33 BFAC
    25.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 260 sites over 67.5% of top
   260 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.78
   2      354.0   48.6  166.6     89.730  3.39
   3      350.0   42.9  183.1     86.547  3.27
   #Sites = 260: output truncated to 3 sites

   Top 260 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #36 of 75
   0%                                                                 100%
   |==================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #36 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -59.8362   ( 3.32)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 43 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      224.5   53.0  166.9    -59.836  3.32   0.0      2     69.164/    76.919
   2      105.5   19.6  155.5    -67.570  2.91 131.0      1     56.328/    56.328
   3      271.9   76.8  205.7    -67.919  2.89  75.9      1     84.951/    84.951
   #SITES = 43: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #37 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=19.1 +TNCS PAK=0 LLG=28
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=19.1 +TNCS PAK=0 LLG=28
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  275.1  104.1  141.6 FRAC -0.50  0.31 -0.00 BFAC
    24.68
   SOLU 6DIM ENSE ensemble1 EULER  267.5  110.0  138.0 FRAC -0.49 -0.18  0.00 BFAC
    24.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 539 sites over 67.5% of top
   539 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.06
   2      297.3   45.0  166.7     98.439  3.01
   3      168.0   49.3  166.6     97.256  2.97
   #Sites = 539: output truncated to 3 sites

   Top 539 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #37 of 75
   0%                                                                   100%
   |====================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #37 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -75.1133   ( 3.46)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 62 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -75.113  3.46   0.0      2     70.604/    70.604
   2      271.9   76.8  205.7    -83.226  3.04 149.9      1     88.193/    88.193
   3      224.5   53.0  166.9    -83.767  3.01 137.3      2     80.406/    84.022
   #SITES = 62: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #38 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166 RF++ TFZ=19.4 +TNCS PAK=0 LLG=27
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.1 +TNCS PAK=0 LLG=166 RF++ TFZ=19.4 +TNCS PAK=0 LLG=27
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  183.0   68.1  323.5 FRAC  0.03  0.26  0.00 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  181.8   67.8  323.6 FRAC  0.04 -0.23 -0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  180.8   64.6  322.9 FRAC  0.53  0.28 -0.01 BFAC
    24.93
   SOLU 6DIM ENSE ensemble1 EULER  184.3   68.8  324.8 FRAC  0.52  0.76 -0.01 BFAC
    24.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 498 sites over 67.5% of top
   498 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.17
   2      147.2   41.7  167.1     95.671  3.03
   3       65.6   99.0  228.7     95.449  3.03
   #Sites = 498: output truncated to 3 sites

   Top 498 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #38 of 75
   0%                                                              100%
   |===============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #38 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -72.8819   ( 4.02)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 30 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -72.882  4.02   0.0      1     75.039/    75.039
   2      194.2  100.0  224.5    -79.237  3.71 178.5      1     91.933/    91.933
   3       34.1  112.7   28.1    -82.072  3.57  38.7      1     71.221/    71.221
   #SITES = 30: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #39 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=156 RF++ TFZ=17.9 +TNCS PAK=0 LLG=26
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.0 +TNCS PAK=0 LLG=156 RF++ TFZ=17.9 +TNCS PAK=0 LLG=26
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.1  139.6 FRAC  0.09  0.14  0.00 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.3  138.4 FRAC  0.10  0.64 -0.01 BFAC 
    0.92
   SOLU 6DIM ENSE ensemble1 EULER  279.7  110.3  139.5 FRAC  0.59  0.62 -0.01 BFAC
    24.33
   SOLU 6DIM ENSE ensemble1 EULER  275.4  107.3  137.3 FRAC -0.40  0.13 -0.00 BFAC
    24.33
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 456 sites over 67.5% of top
   456 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       38.1   89.4  209.2    100.000  3.21
   2      271.9   76.8  205.7     99.488  3.19
   3      270.6  112.5   28.3     97.672  3.13
   #Sites = 456: output truncated to 3 sites

   Top 456 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #39 of 75
   0%                                                         100%
   |==========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #39 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -57.951   ( 3.71)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 40 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -57.951  3.71   0.0      5     78.321/    80.795
   2       34.1  112.7   28.1    -65.892  3.30  38.7      2     81.535/    81.535
   3      292.3   78.3  209.1    -66.265  3.28 152.1      2     97.244/    97.244
   #SITES = 40: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #40 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159 RF++ TFZ=19.1 +TNCS PAK=0 LLG=25
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159 RF++ TFZ=19.1 +TNCS PAK=0 LLG=25
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.4  139.6 FRAC -0.42  0.43  0.00 BFAC
    23.71
   SOLU 6DIM ENSE ensemble1 EULER   31.6  106.7  140.2 FRAC  0.07  0.66  0.33 BFAC
    23.71
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 593 sites over 67.5% of top
   593 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      285.2   46.3  166.6    100.000  3.06
   2      173.7   76.8  205.7     99.100  3.03
   3      111.3   45.6  166.6     98.585  3.02
   #Sites = 593: output truncated to 3 sites

   Top 593 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #40 of 75
   0%                                                                          100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #40 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -86.465   ( 3.90)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 44 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -86.465  3.90   0.0      4     86.206/    86.206
   2      271.9   76.8  205.7   -100.361  3.23 149.9      1     98.249/    98.249
   3       99.0   35.2  190.7   -101.727  3.16 179.7      3     63.257/    67.074
   #SITES = 44: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #41 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.1 +TNCS PAK=0 LLG=25
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.1 +TNCS PAK=0 LLG=25
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.0   62.7  320.1 FRAC -0.35  0.74 -0.00 BFAC
    24.30
   SOLU 6DIM ENSE ensemble1 EULER  182.3   69.6  325.0 FRAC -0.35  0.25 -0.01 BFAC
    24.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 443 sites over 67.5% of top
   443 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       60.5   89.4  209.5    100.000  3.24
   2       63.3   78.3  209.1     94.286  3.06
   3       30.3   44.7  166.7     93.889  3.04
   #Sites = 443: output truncated to 3 sites

   Top 443 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #41 of 75
   0%                                                                         100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #41 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -88.0007   ( 3.52)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 50 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      194.2  100.0  224.5    -88.001  3.52   0.0      1     85.950/    85.950
   2       43.7   78.4   44.5    -89.670  3.44 178.5      1     64.548/    64.548
   3       34.1  112.7   28.1    -94.280  3.23 151.0      1     65.198/    65.198
   #SITES = 50: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #42 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.4 +TNCS PAK=0 LLG=24
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.4 +TNCS PAK=0 LLG=24
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  180.0   65.4  326.3 FRAC  0.16  0.76 -0.00 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.7   67.8  323.8 FRAC  0.15  1.25 -0.01 BFAC 
    0.27
   SOLU 6DIM ENSE ensemble1 EULER  180.1   66.6  324.2 FRAC  0.66  1.26 -0.00 BFAC
    24.99
   SOLU 6DIM ENSE ensemble1 EULER  294.0   66.4  325.5 FRAC  0.25  0.88  0.34 BFAC
    24.99
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 428 sites over 67.5% of top
   428 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.35
   2       98.4  135.1  359.8     98.391  3.29
   3       60.5   89.4  209.5     96.020  3.21
   #Sites = 428: output truncated to 3 sites

   Top 428 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #42 of 75
   0%                                                                       100%
   |========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #42 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -76.6726   ( 3.57)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -76.673  3.57   0.0      1     63.622/    63.622
   2       34.1  112.7   28.1    -77.651  3.52  38.7      1     74.058/    74.058
   3      194.2  100.0  224.5    -79.063  3.44 178.5      1     90.440/    90.440
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #43 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166 RF++ TFZ=18.3 +TNCS PAK=0 LLG=20
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166 RF++ TFZ=18.3 +TNCS PAK=0 LLG=20
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  272.9  103.5  140.9 FRAC -0.30  0.99 -0.01 BFAC
    25.70
   SOLU 6DIM ENSE ensemble1 EULER  272.7  103.4  139.3 FRAC -0.30  0.48 -0.01 BFAC
    25.70
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 617 sites over 67.5% of top
   617 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      168.0   49.3  166.6    100.000  3.08
   2      173.7   76.8  205.7     98.675  3.04
   3      297.3   45.0  166.7     96.944  2.99
   #Sites = 617: output truncated to 3 sites

   Top 617 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #43 of 75
   0%                                                             100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #43 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -82.175   ( 3.89)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -82.175  3.89   0.0      3     86.201/    86.201
   2       99.0   35.2  190.7    -94.387  3.29 179.7      3     63.612/    69.960
   3      292.3   78.3  209.1    -94.906  3.27 152.1      2     96.518/    96.518
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #44 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157 RF++ TFZ=19.5 +TNCS PAK=0 LLG=13
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=157 RF++ TFZ=19.5 +TNCS PAK=0 LLG=13
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.3  139.3 FRAC  0.01  0.75  0.00 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.3  139.6 FRAC  0.00  1.25 -0.01 BFAC 
    1.44
   SOLU 6DIM ENSE ensemble1 EULER  261.1  104.9  120.8 FRAC -0.50  0.75  0.02 BFAC
    25.72
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.6  139.2 FRAC -0.50  0.25 -0.00 BFAC
    25.72
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 473 sites over 67.5% of top
   473 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1        9.8   20.8  154.5    100.000  3.20
   2      250.0   22.4  153.5     97.055  3.11
   3      149.3   79.7   49.7     96.833  3.10
   #Sites = 473: output truncated to 3 sites

   Top 473 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #44 of 75
   0%                                                           100%
   |============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #44 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -48.2656   ( 3.51)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 61 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       32.9   79.3   48.5    -48.266  3.51   0.0      7     91.153/    91.153
   2       34.1  112.7   28.1    -48.903  3.47  39.1      2     71.917/    71.917
   3      292.3   78.3  209.1    -53.699  3.19 150.5      2     94.086/    94.086
   #SITES = 61: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #45 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166 RF++ TFZ=17.9 +TNCS PAK=0 LLG=6
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=166 RF++ TFZ=17.9 +TNCS PAK=0 LLG=6
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.7  138.4 FRAC  0.19  0.97  0.00 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.8  139.2 FRAC  0.20  1.47 -0.01 BFAC 
    0.25
   SOLU 6DIM ENSE ensemble1 EULER  275.1  104.4  139.2 FRAC  0.69  1.46 -0.00 BFAC
    27.05
   SOLU 6DIM ENSE ensemble1 EULER  143.7  108.8  122.2 FRAC  0.32  1.33 -0.33 BFAC
    27.05
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 369 sites over 67.5% of top
   369 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1        9.8   20.8  154.5    100.000  3.45
   2      250.0   22.4  153.5     97.993  3.38
   3      129.4   19.3  155.8     96.974  3.34
   #Sites = 369: output truncated to 3 sites

   Top 369 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #45 of 75
   0%                                                             100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #45 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -53.7998   ( 3.53)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 56 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -53.800  3.53   0.0      2     59.740/    68.881
   2       99.0   35.2  190.7    -58.221  3.27 179.7      3     56.409/    61.040
   3      275.3   99.9  225.5    -60.813  3.12 178.8      1     89.168/    89.168
   #SITES = 56: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #46 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=5.5 +TNCS PAK=3 LLG=4
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=5.5 +TNCS PAK=3 LLG=4
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 528 sites over 67.5% of top
   528 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      153.4   74.8  202.5    100.000  3.11
   2       65.6   99.0  228.7     97.977  3.05
   3       30.3   44.7  166.7     97.528  3.03
   #Sites = 528: output truncated to 3 sites

   Top 528 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #46 of 75
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #46 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -18.7654   ( 3.81)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 49 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -18.765  3.81   0.0      3     90.640/    90.640
   2      308.8   98.1  231.6    -22.430  3.57 177.9      1     93.864/    93.864
   3       29.8   97.7  232.6    -23.363  3.50 172.6      1     81.078/    81.078
   #SITES = 49: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #47 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 479 sites over 67.5% of top
   479 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      297.3   45.0  166.7    100.000  3.24
   2      180.1   48.0  166.6     99.063  3.21
   3       30.3   44.7  166.7     96.398  3.12
   #Sites = 479: output truncated to 3 sites

   Top 479 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #47 of 75
   0%                                                           100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #47 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -36.5834   ( 3.63)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 61 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      146.7  145.7    8.4    -36.583  3.63   0.0      1     59.678/    59.678
   2      206.1   65.5  208.5    -36.599  3.63 178.2      1     93.685/    93.685
   3       50.6   52.3  166.8    -37.346  3.58 176.8      2     79.690/    82.013
   #SITES = 61: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #48 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.3 +TNCS PAK=1 LLG=4
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.3 +TNCS PAK=1 LLG=4
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 416 sites over 67.5% of top
   416 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.37
   2      153.4   74.8  202.5     95.841  3.23
   3      111.3   45.6  166.6     89.680  3.02
   #Sites = 416: output truncated to 3 sites

   Top 416 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #48 of 75
   0%                                                                     100%
   |======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #48 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -44.113   ( 3.32)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 80 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      271.9   76.8  205.7    -44.113  3.32   0.0      2    100.000/   100.000
   2       29.8   97.7  232.6    -46.567  3.16 122.1      1     60.765/    60.765
   3      163.2   59.5  168.2    -47.213  3.12 126.7      1     59.492/    59.492
   #SITES = 80: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #49 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.7 TFZ=3.9 +TNCS PAK=5 LLG=3
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.7 TFZ=3.9 +TNCS PAK=5 LLG=3
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  281.1   72.9   41.9 FRAC -0.03  0.32 -0.28 BFAC
    23.78
   SOLU 6DIM ENSE ensemble1 EULER   41.1   72.5   41.9 FRAC -0.32  0.15  0.05 BFAC
    23.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 444 sites over 67.5% of top
   444 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.35
   2      354.0   48.6  166.6     97.918  3.28
   3      241.3   88.8  206.9     91.870  3.08
   #Sites = 444: output truncated to 3 sites

   Top 444 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #49 of 75
   0%                                                                          100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #49 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -51.3199   ( 3.22)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 69 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      308.8   98.1  231.6    -51.320  3.22   0.0      1     77.990/    77.990
   2      241.3   88.8  206.9    -52.423  3.14  70.5      3     91.870/    91.870
   3      311.2  163.7  333.6    -52.905  3.11 114.7      1     80.188/    80.188
   #SITES = 69: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #50 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.8 +TNCS PAK=2 LLG=3
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.8 +TNCS PAK=2 LLG=3
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 344 sites over 67.5% of top
   344 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      285.2   46.3  166.6    100.000  3.62
   2      168.0   49.3  166.6     98.772  3.57
   3       63.3   78.3  209.1     91.531  3.31
   #Sites = 344: output truncated to 3 sites

   Top 344 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #50 of 75
   0%                                                         100%
   |==========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #50 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -38.1601   ( 3.19)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 56 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      146.7  145.7    8.4    -38.160  3.19   0.0      2     59.415/    88.181
   2      271.9   76.8  205.7    -40.623  3.03 149.7      2     82.761/    82.761
   3       29.8   97.7  232.6    -40.788  3.02 107.0      1     60.910/    60.910
   #SITES = 56: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #51 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=5.0 +TNCS PAK=5 LLG=2
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=5.0 +TNCS PAK=5 LLG=2
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.79  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC  0.78  1.15 -0.02 BFAC
    23.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 659 sites over 67.5% of top
   659 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  2.93
   2      107.7  142.5  268.6     99.609  2.92
   3      287.4   78.2   43.2     99.252  2.91
   #Sites = 659: output truncated to 3 sites

   Top 659 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #51 of 75
   0%                                                                 100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #51 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -38.8396   ( 3.35)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 74 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -38.840  3.35   0.0      5     91.826/    91.826
   2       29.8   97.7  232.6    -40.080  3.27 172.6      2     79.857/    79.857
   3      206.1   65.5  208.5    -42.803  3.08 147.3      2     64.884/    72.509
   #SITES = 74: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #52 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.6 +TNCS PAK=8 LLG=1
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.6 +TNCS PAK=8 LLG=1
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC -0.35 -0.03 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   18.0  105.0  219.3 FRAC -0.35  0.47 -0.09 BFAC
    25.28
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 556 sites over 67.5% of top
   556 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      211.0  133.2  359.2    100.000  3.25
   2      285.2   46.3  166.6     99.457  3.23
   3      271.9   76.8  205.7     98.229  3.19
   #Sites = 556: output truncated to 3 sites

   Top 556 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #52 of 75
   0%                                                                     100%
   |======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #52 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -33.6822   ( 3.55)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 73 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      209.5  117.0   24.8    -33.682  3.55   0.0      1     56.925/    56.925
   2      102.1   15.0  161.6    -34.181  3.51 127.6      2     58.374/    67.824
   3      308.8   98.1  231.6    -34.716  3.48 171.4      1     80.943/    80.943
   #SITES = 73: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #53 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=5.2 +TNCS PAK=2 LLG=1
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=5.2 +TNCS PAK=2 LLG=1
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   30.6   84.3   48.8 FRAC -0.37  0.28 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   31.2   81.4   48.4 FRAC -0.37 -0.22 -0.01 BFAC
    24.72
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 594 sites over 67.5% of top
   594 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.07
   2      111.3   45.6  166.6     99.386  3.05
   3      354.0   48.6  166.6     99.028  3.04
   #Sites = 594: output truncated to 3 sites

   Top 594 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #53 of 75
   0%                                                                          100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #53 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -28.5217   ( 3.71)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 59 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      163.2   59.5  168.2    -28.522  3.71   0.0      1     81.626/    81.626
   2       50.6   52.3  166.8    -30.313  3.58 113.5      2     80.444/    86.790
   3      206.1   65.5  208.5    -31.387  3.50  70.9      2     95.874/    95.874
   #SITES = 59: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #54 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6
   LLG=-0
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6 LLG=-0
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 503 sites over 67.5% of top
   503 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      297.3   45.0  166.7    100.000  3.24
   2      111.3   45.6  166.6     98.228  3.18
   3      180.1   48.0  166.6     97.713  3.17
   #Sites = 503: output truncated to 3 sites

   Top 503 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #54 of 75
   0%                                                              100%
   |================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #54 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -30.7091   ( 3.87)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 45 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      308.8   98.1  231.6    -30.709  3.87   0.0      1     76.512/    76.512
   2       50.6   52.3  166.8    -35.807  3.51 106.7      2     74.583/    86.667
   3      271.9   76.8  205.7    -36.885  3.44  50.2      2     84.815/    84.815
   #SITES = 45: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #55 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.6 +TNCS PAK=4
   LLG=-0
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.6 +TNCS PAK=4 LLG=-0
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   11.4   75.2   47.2 FRAC  0.16  0.36 -0.23 BFAC
    24.25
   SOLU 6DIM ENSE ensemble1 EULER   10.5   75.7   48.2 FRAC -0.34  0.36 -0.23 BFAC
    24.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 484 sites over 67.5% of top
   484 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      311.2  154.3  328.4    100.000  3.34
   2       71.2  154.3  328.4    100.000  3.34
   3      191.2  154.3  328.4    100.000  3.34
   #Sites = 484: output truncated to 3 sites

   Top 484 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #55 of 75
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #55 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -56.5269   ( 3.55)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 64 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       34.1  112.7   28.1    -56.527  3.55   0.0      1     74.667/    74.667
   2      217.7  153.0  352.9    -56.951  3.52 153.0      1     75.456/    75.456
   3       50.6   52.3  166.8    -58.627  3.41 147.1      1     92.896/    92.896
   #SITES = 64: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #56 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RFZ=3.5 TFZ=5.5 +TNCS PAK=2
   LLG=-2
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RFZ=3.5 TFZ=5.5 +TNCS PAK=2 LLG=-2
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   27.4   85.4   46.9 FRAC -0.21  0.12 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER   29.9   85.4   48.4 FRAC -0.21 -0.38 -0.00 BFAC
    25.37
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 483 sites over 67.5% of top
   483 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.21
   2       14.1  123.6  345.6     97.606  3.13
   3      147.2   41.7  167.1     97.468  3.13
   #Sites = 483: output truncated to 3 sites

   Top 483 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #56 of 75
   0%                                                            100%
   |=============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #56 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -36.1728   ( 3.50)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 75 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -36.173  3.50   0.0      1     70.458/    70.458
   2      163.2   59.5  168.2    -36.901  3.45 175.6      1     74.422/    74.422
   3       50.6   52.3  166.8    -37.174  3.43 126.8      2     81.741/    81.741
   #SITES = 75: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #57 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=6.3 +TNCS PAK=0
   LLG=-3
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=6.3 +TNCS PAK=0 LLG=-3
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.63  0.79  0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   28.1   86.1   49.2 FRAC -0.37  0.28 -0.00 BFAC
    25.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 437 sites over 67.5% of top
   437 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      260.1   46.7  181.4    100.000  3.29
   2       14.1  123.6  345.6     98.302  3.23
   3       30.3   44.7  166.7     97.465  3.20
   #Sites = 437: output truncated to 3 sites

   Top 437 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #57 of 75
   0%                                                                        100%
   |==========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #57 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -39.1277   ( 3.72)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 53 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       50.6   52.3  166.8    -39.128  3.72   0.0      2     84.836/    84.836
   2      163.2   59.5  168.2    -41.540  3.55 113.5      1     71.717/    71.717
   3      206.1   65.5  208.5    -42.962  3.45 178.0      2     92.980/    92.980
   #SITES = 53: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #58 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.8 +TNCS PAK=3
   LLG=-3
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.8 +TNCS PAK=3 LLG=-3
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC -0.33  0.26  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  129.5   74.1   49.1 FRAC -0.33 -0.24  0.03 BFAC
    25.37
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 439 sites over 67.5% of top
   439 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       65.6   99.0  228.7    100.000  3.34
   2      271.9   76.8  205.7     97.384  3.26
   3      270.6  112.5   28.3     93.857  3.14
   #Sites = 439: output truncated to 3 sites

   Top 439 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #58 of 75
   0%                                                                         100%
   |==========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #58 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -44.1921   ( 4.19)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 24 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      308.8   98.1  231.6    -44.192  4.19   0.0      1     91.733/    91.733
   2       99.0   35.2  190.7    -54.384  3.55 140.4      3     61.528/    75.484
   3       43.7   78.4   44.5    -55.106  3.50 177.9      3     86.058/    86.058
   #SITES = 24: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #59 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2
   LLG=-5
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 422 sites over 67.5% of top
   422 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.27
   2      354.0   48.6  166.6     96.134  3.14
   3      130.8   89.1   29.3     93.576  3.06
   #Sites = 422: output truncated to 3 sites

   Top 422 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #59 of 75
   0%                                                                      100%
   |=======================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #59 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -33.7778   ( 3.66)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 45 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -33.778  3.66   0.0      1     76.325/    76.325
   2      206.1   65.5  208.5    -37.096  3.42 147.3      2     63.959/    67.793
   3       29.8   97.7  232.6    -37.675  3.38 172.6      1     77.549/    77.549
   #SITES = 45: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #60 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=5.0 +TNCS PAK=2
   LLG=-5
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=5.0 +TNCS PAK=2 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 538 sites over 67.5% of top
   538 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.17
   2      111.3   45.6  166.6     99.422  3.15
   3      354.0   48.6  166.6     98.533  3.12
   #Sites = 538: output truncated to 3 sites

   Top 538 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #60 of 75
   0%                                                                   100%
   |====================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #60 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -38.8087   ( 3.48)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 73 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      146.7  145.7    8.4    -38.809  3.48   0.0      3     73.158/    83.928
   2       43.7   78.4   44.5    -39.966  3.40 132.6      1     67.008/    67.008
   3      105.5   19.6  155.5    -40.211  3.38 161.2      1     72.360/    72.360
   #SITES = 73: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #61 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=16
   LLG=-5
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=16 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.9   72.5   50.3 FRAC  0.45  1.21  0.27 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER   37.4   72.7   49.0 FRAC -0.21  0.73 -0.07 BFAC
    25.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 299 sites over 67.5% of top
   299 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      285.2   46.3  166.6    100.000  3.62
   2      168.0   49.3  166.6     93.460  3.39
   3      204.3   45.3  166.7     89.539  3.24
   #Sites = 299: output truncated to 3 sites

   Top 299 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #61 of 75
   0%                                                                          100%
   |============================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #61 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -42.2904   ( 3.01)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 72 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      155.8   50.6  166.7    -42.290  3.01   0.0      1     86.470/    86.470
   2      200.3  130.2  358.6    -43.183  2.96 171.8      1     62.415/    62.415
   3       50.6   52.3  166.8    -44.364  2.88 105.1      2     75.369/    75.369
   #SITES = 72: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #62 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2
   LLG=-6
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2 LLG=-6
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 490 sites over 67.5% of top
   490 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      297.3   45.0  166.7    100.000  3.26
   2      247.4   58.0  319.1     98.656  3.22
   3      350.0   48.1  181.0     98.364  3.21
   #Sites = 490: output truncated to 3 sites

   Top 490 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #62 of 75
   0%                                                             100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #62 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -36.7899   ( 3.68)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 38 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       29.8   97.7  232.6    -36.790  3.68   0.0      1     64.152/    64.152
   2       10.2   63.4  315.3    -40.627  3.41  87.0      2     68.907/    86.249
   3      163.2   59.5  168.2    -44.718  3.13 131.3      1     74.239/    74.239
   #SITES = 38: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #63 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=4.7 +TNCS PAK=0
   LLG=-6
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=4.7 +TNCS PAK=0 LLG=-6
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 315 sites over 67.5% of top
   315 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.53
   2      153.4   74.8  202.5     95.587  3.37
   3      206.1  144.0  265.7     94.930  3.35
   #Sites = 315: output truncated to 3 sites

   Top 315 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #63 of 75
   0%                                                    100%
   |=====================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #63 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -28.4383   ( 3.75)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 33 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       29.8   97.7  232.6    -28.438  3.75   0.0      1     81.137/    81.137
   2      163.2   59.5  168.2    -31.537  3.54 131.3      1     55.228/    55.228
   3      271.9   76.8  205.7    -33.473  3.40 122.1      2    100.000/   100.000
   #SITES = 33: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #64 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0
   LLG=-6
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0 LLG=-6
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 447 sites over 67.5% of top
   447 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      204.3   45.3  166.7    100.000  3.37
   2      111.3   45.6  166.6     98.163  3.31
   3       88.2   64.0  288.3     98.013  3.30
   #Sites = 447: output truncated to 3 sites

   Top 447 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #64 of 75
   0%                                                                          100%
   |===========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #64 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -42.1031   ( 4.16)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 37 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       50.6   52.3  166.8    -42.103  4.16   0.0      2     76.798/    76.798
   2      206.1   65.5  208.5    -54.128  3.30 178.0      1     79.603/    79.603
   3      112.6   69.4  197.2    -54.435  3.28  82.4      2     59.585/    63.276
   #SITES = 37: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #65 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.1 +TNCS PAK=3
   LLG=-6
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.1 +TNCS PAK=3 LLG=-6
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  238.8  158.5    1.2 FRAC  0.38  1.18  0.30 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  357.2  160.8  359.6 FRAC -0.18  0.70 -0.03 BFAC
    24.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 652 sites over 67.5% of top
   652 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  2.95
   2      277.1  149.5  327.8     98.437  2.91
   3       37.1  149.5  327.8     98.437  2.91
   #Sites = 652: output truncated to 3 sites

   Top 652 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #65 of 75
   0%                                                                 100%
   |==================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #65 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -35.1372   ( 3.79)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 52 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      308.8   98.1  231.6    -35.137  3.79   0.0      1     93.601/    93.601
   2       43.7   78.4   44.5    -35.182  3.79 177.9      4     90.017/    90.017
   3       47.4   51.1  220.4    -40.419  3.45 104.2      1     72.006/    72.006
   #SITES = 52: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #66 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13
   LLG=-7
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13 LLG=-7
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 456 sites over 67.5% of top
   456 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       34.2  159.0  330.0    100.000  3.26
   2      274.2  159.0  330.0    100.000  3.26
   3      154.2  159.0  330.0    100.000  3.26
   #Sites = 456: output truncated to 3 sites

   Top 456 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #66 of 75
   0%                                                         100%
   |==========================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #66 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -40.1693   ( 3.31)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 84 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      163.2   59.5  168.2    -40.169  3.31   0.0      1     63.866/    63.866
   2      224.5   53.0  166.9    -40.623  3.28  60.9      2     81.686/    81.686
   3       29.8   97.7  232.6    -41.256  3.23 131.3      3     65.373/    74.454
   #SITES = 84: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #67 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=4.8 +TNCS PAK=0
   LLG=-8
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=4.8 +TNCS PAK=0 LLG=-8
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 365 sites over 67.5% of top
   365 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      204.3   45.3  166.7    100.000  3.51
   2       30.3   44.7  166.7     96.057  3.37
   3       87.1   48.3  166.6     93.924  3.30
   #Sites = 365: output truncated to 3 sites

   Top 365 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #67 of 75
   0%                                                            100%
   |==============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #67 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -35.3211   ( 3.43)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 69 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       50.6   52.3  166.8    -35.321  3.43   0.0      2     60.793/    71.117
   2      308.8   98.1  231.6    -36.451  3.35 106.7      1     72.940/    72.940
   3       43.7   78.4   44.5    -39.823  3.10 126.8      1     65.918/    65.918
   #SITES = 69: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #68 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4
   LLG=-8
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4 LLG=-8
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 501 sites over 67.5% of top
   501 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1       30.3   44.7  166.7    100.000  3.23
   2      273.1   47.6  166.6     99.657  3.22
   3      246.5  110.9  107.8     95.236  3.08
   #Sites = 501: output truncated to 3 sites

   Top 501 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #68 of 75
   0%                                                              100%
   |===============================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #68 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -27.5349   ( 3.46)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 70 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      163.2   59.5  168.2    -27.535  3.46   0.0      1     77.032/    77.032
   2       32.9   79.3   48.5    -28.433  3.40 172.2      3     56.880/    81.408
   3      219.0  110.1   33.0    -28.796  3.37 139.8      1     72.559/    72.559
   #SITES = 70: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #69 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.4 +TNCS PAK=8
   LLG=-8
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.4 +TNCS PAK=8 LLG=-8
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  214.0  160.2  337.5 FRAC -0.11  0.30 -0.26 BFAC
    23.76
   SOLU 6DIM ENSE ensemble1 EULER  334.6  161.6  338.0 FRAC -0.31  0.09  0.07 BFAC
    23.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 173 sites over 67.5% of top
   173 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.88
   2       30.5   78.3  209.1     92.316  3.58
   3      270.6  112.5   28.3     85.917  3.33
   #Sites = 173: output truncated to 3 sites

   Top 173 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #69 of 75
   0%                                           100%
   |============================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #69 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -71.2028   ( 3.40)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 34 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       34.1  112.7   28.1    -71.203  3.40   0.0      1     65.399/    65.399
   2      271.9   76.8  205.7    -74.143  3.20 172.8      2    100.000/   100.000
   3      229.2   78.1   42.6    -78.187  2.93 167.1      1     61.963/    61.963
   #SITES = 34: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #70 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.2 TFZ=5.4 +TNCS PAK=2
   LLG=-10
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.2 TFZ=5.4 +TNCS PAK=2 LLG=-10
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 397 sites over 67.5% of top
   397 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.36
   2       65.6   99.0  228.7     98.549  3.31
   3      308.8   98.1  231.6     98.267  3.30
   #Sites = 397: output truncated to 3 sites

   Top 397 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #70 of 75
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #70 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -45.1563   ( 3.49)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 50 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -45.156  3.49   0.0      3     67.335/    67.335
   2       29.8   97.7  232.6    -46.212  3.42 172.6      1     61.450/    61.450
   3      308.8   98.1  231.6    -46.430  3.41 177.9      1     98.267/    98.267
   #SITES = 50: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #71 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2
   LLG=-10
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2 LLG=-10
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 399 sites over 67.5% of top
   399 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.33
   2       30.5   78.3  209.1     97.916  3.26
   3      279.1  129.9  358.6     93.089  3.10
   #Sites = 399: output truncated to 3 sites

   Top 399 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #71 of 75
   0%                                                                  100%
   |===================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #71 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -47.2574   ( 4.10)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 25 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -47.257  4.10   0.0      1     59.836/    59.836
   2      163.2   59.5  168.2    -51.103  3.85 175.6      1     65.016/    65.016
   3      126.1  101.8   24.9    -55.353  3.57  86.9      1     78.734/    78.734
   #SITES = 25: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #72 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.0 +TNCS PAK=2
   LLG=-11
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.0 +TNCS PAK=2 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 437 sites over 67.5% of top
   437 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      271.9   76.8  205.7    100.000  3.24
   2       30.5   78.3  209.1     91.701  2.97
   3       99.2   47.0  166.6     89.882  2.91
   #Sites = 437: output truncated to 3 sites

   Top 437 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #72 of 75
   0%                                                                        100%
   |==========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #72 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -32.7287   ( 3.70)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 34 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      163.2   59.5  168.2    -32.729  3.70   0.0      1     61.739/    61.739
   2       43.7   78.4   44.5    -36.924  3.42 175.6      1     65.810/    65.810
   3      292.3   78.3  209.1    -36.982  3.41 147.1      2     65.340/    65.340
   #SITES = 34: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #73 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.3 +TNCS PAK=0
   LLG=-11
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.3 +TNCS PAK=0 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 435 sites over 67.5% of top
   435 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      350.0   42.9  183.1    100.000  3.45
   2      297.3   45.0  166.7     96.658  3.34
   3      181.1  149.5  327.8     95.660  3.30
   #Sites = 435: output truncated to 3 sites

   Top 435 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #73 of 75
   0%                                                                        100%
   |=========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #73 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -33.5122   ( 3.53)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 56 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      266.7   13.0  166.2    -33.512  3.53   0.0      1     61.234/    61.234
   2      240.2   41.3  167.2    -35.561  3.39  38.0      2     86.828/    86.828
   3      206.1   65.5  208.5    -36.725  3.31  60.7      2     78.196/    78.196
   #SITES = 56: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #74 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10
   LLG=-11
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 383 sites over 67.5% of top
   383 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      151.0   66.5  209.5    100.000  3.43
   2      107.7  142.5  268.6     96.255  3.30
   3      107.9  144.9  264.0     91.947  3.15
   #Sites = 383: output truncated to 3 sites

   Top 383 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #74 of 75
   0%                                                               100%
   |=================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #74 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -11.5883   ( 4.07)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 30 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1       43.7   78.4   44.5    -11.588  4.07   0.0      4     74.774/    74.774
   2      292.3   78.3  209.1    -14.968  3.83 152.1      1     61.789/    61.789
   3      206.1   65.5  208.5    -17.880  3.63 147.3      1     71.873/    71.873
   #SITES = 30: OUTPUT TRUNCATED TO 3 SITES

---------------------------
ROTATION FUNCTION #75 OF 75
---------------------------

   Search Ensemble: ensemble1

   ANNOTATION:  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=5.6 +TNCS PAK=5
   LLG=-11
   Translational Ncs: Rotational spacegroup changed to P1
   Sampling: 10.68 degrees

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=5.6 +TNCS PAK=5 LLG=-11
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER   38.1   81.3   47.8 FRAC -0.17  0.54  0.04 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   37.6   79.8   48.0 FRAC -0.17  1.04  0.04 BFAC
    24.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Spherical Harmonics
   -------------------
   Elmn for Data
   Spreading calculation onto 2 threads.
   Elmn Calculation for Data
   0%                                                               100%
   |================================================================| DONE

   Scanning the Range of Beta Angles
   ---------------------------------
   Spreading calculation onto 2 threads.
   Clmn Calculation
   0%        100%
   |==========| DONE

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
      Also store peaks over 54% of top
   There were 288 sites over 67.5% of top
   288 peaks selected
   The sites over 67.5% are:
   #     Euler1 Euler2 Euler3    FSS   Z-score
   1      111.3   45.6  166.6    100.000  3.71
   2      354.0   48.6  166.6     98.214  3.64
   3      168.0   49.3  166.6     92.194  3.42
   #Sites = 288: output truncated to 3 sites

   Top 288 rotations before clustering will be rescored
   Spreading calculation onto 2 threads
   Calculating Likelihood for RF #75 of 75
   0%                                                                        100%
   |=========================================================================| DONE

   Mean and Standard Deviation
   ---------------------------
   Scoring 500 randomly sampled rotations
   Spreading calculation onto 2 threads
   Generating Statistics for RF #75 of 75
   0%                                                              100%
   |===============================================================| DONE

   Highest Score (Z-score):  -50.8954   ( 3.43)

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
      Also store peaks over 60% of top
   There were 59 sites over 75% of top
   The sites over 75% are:
   #     Euler1 Euler2 Euler3    LLG   Z-score Split #Group  FSS-this-ang/FSS-top
   1      292.3   78.3  209.1    -50.895  3.43   0.0      2     63.531/    63.531
   2      146.7  145.7    8.4    -51.973  3.36 144.2      2     55.563/    59.638
   3       29.8   97.7  232.6    -53.828  3.25 101.7      1     60.598/    60.598
   #SITES = 59: OUTPUT TRUNCATED TO 3 SITES


   Rotation Function Table: ensemble1
   ----------------------------------
   (Z-scores from Fast Rotation Function)
   #SET        Top    (Z)      Second    (Z)       Third    (Z)
   1        -47.27   3.59      -53.95   3.28      -54.11   3.27
   2        -51.51   3.98      -63.12   3.39      -65.75   3.26
   3        -36.62   3.49      -42.81   3.18      -43.69   3.14
   4        -63.99   3.53      -72.46   3.13      -74.84   3.01
   5        -45.77   3.76      -52.47   3.43      -54.80   3.31
   6        -56.22   3.70      -61.90   3.42      -67.62   3.15
   7        -38.80   3.75      -43.83   3.49      -49.02   3.22
   8         -3.11   3.57       -3.87   3.53      -10.06   3.14
   9        -61.03   3.66      -62.95   3.57      -67.16   3.37
   10       -58.78   3.82      -67.32   3.39      -73.62   3.08
   11       -60.99   3.73      -67.96   3.39      -69.19   3.32
   12       -57.49   3.73      -67.71   3.22      -71.00   3.06
   13       -64.56   3.51      -67.83   3.34      -69.37   3.27
   14       -69.55   3.66      -81.06   3.10      -81.76   3.07
   15       -54.50   3.65      -59.17   3.41      -62.42   3.25
   16       -52.61   3.93      -69.73   3.07      -69.90   3.06
   17       -62.45   4.09      -76.54   3.41      -79.22   3.28
   18       -55.96   3.88      -67.50   3.29      -68.82   3.22
   19       -64.48   3.31      -66.51   3.21      -66.56   3.20
   20       -43.65   4.07      -57.71   3.36      -62.10   3.14
   21       -83.32   3.51      -85.42   3.41      -87.03   3.33
   22       -75.38   3.52      -77.36   3.42      -81.13   3.24
   23       -78.08   3.38      -80.54   3.26      -85.39   3.03
   24       -45.46   3.73      -52.03   3.39      -52.52   3.36
   25       -42.33   3.92      -53.24   3.36      -56.80   3.17
   26       -44.50   3.69      -49.37   3.42      -52.43   3.25
   27       -63.81   3.84      -74.34   3.31      -76.52   3.20
   28       -42.58   4.16      -59.39   3.33      -63.93   3.10
   29       -53.32   4.06      -72.37   3.10      -72.52   3.09
   30       -39.97   3.49      -41.99   3.38      -47.10   3.10
   31       -67.24   3.91      -77.53   3.40      -80.01   3.28
   32       -67.76   3.78      -82.94   3.03      -83.80   2.99
   33       -39.94   3.43      -44.71   3.15      -44.74   3.15
   34       -61.83   3.62      -64.48   3.49      -67.20   3.35
   35       -72.84   3.79      -83.57   3.26      -85.05   3.18
   36       -59.84   3.32      -67.57   2.91      -67.92   2.89
   37       -75.11   3.46      -83.23   3.04      -83.77   3.01
   38       -72.88   4.02      -79.24   3.71      -82.07   3.57
   39       -57.95   3.71      -65.89   3.30      -66.27   3.28
   40       -86.47   3.90     -100.36   3.23     -101.73   3.16
   41       -88.00   3.52      -89.67   3.44      -94.28   3.23
   42       -76.67   3.57      -77.65   3.52      -79.06   3.44
   43       -82.17   3.89      -94.39   3.29      -94.91   3.27
   44       -48.27   3.51      -48.90   3.47      -53.70   3.19
   45       -53.80   3.53      -58.22   3.27      -60.81   3.12
   46       -18.77   3.81      -22.43   3.57      -23.36   3.50
   47       -36.58   3.63      -36.60   3.63      -37.35   3.58
   48       -44.11   3.32      -46.57   3.16      -47.21   3.12
   49       -51.32   3.22      -52.42   3.14      -52.90   3.11
   50       -38.16   3.19      -40.62   3.03      -40.79   3.02
   51       -38.84   3.35      -40.08   3.27      -42.80   3.08
   52       -33.68   3.55      -34.18   3.51      -34.72   3.48
   53       -28.52   3.71      -30.31   3.58      -31.39   3.50
   54       -30.71   3.87      -35.81   3.51      -36.89   3.44
   55       -56.53   3.55      -56.95   3.52      -58.63   3.41
   56       -36.17   3.50      -36.90   3.45      -37.17   3.43
   57       -39.13   3.72      -41.54   3.55      -42.96   3.45
   58       -44.19   4.19      -54.38   3.55      -55.11   3.50
   59       -33.78   3.66      -37.10   3.42      -37.67   3.38
   60       -38.81   3.48      -39.97   3.40      -40.21   3.38
   61       -42.29   3.01      -43.18   2.96      -44.36   2.88
   62       -36.79   3.68      -40.63   3.41      -44.72   3.13
   63       -28.44   3.75      -31.54   3.54      -33.47   3.40
   64       -42.10   4.16      -54.13   3.30      -54.44   3.28
   65       -35.14   3.79      -35.18   3.79      -40.42   3.45
   66       -40.17   3.31      -40.62   3.28      -41.26   3.23
   67       -35.32   3.43      -36.45   3.35      -39.82   3.10
   68       -27.53   3.46      -28.43   3.40      -28.80   3.37
   69       -71.20   3.40      -74.14   3.20      -78.19   2.93
   70       -45.16   3.49      -46.21   3.42      -46.43   3.41
   71       -47.26   4.10      -51.10   3.85      -55.35   3.57
   72       -32.73   3.70      -36.92   3.42      -36.98   3.41
   73       -33.51   3.53      -35.56   3.39      -36.73   3.31
   74       -11.59   4.07      -14.97   3.83      -17.88   3.63
   75       -50.90   3.43      -51.97   3.36      -53.83   3.25


---------------
FINAL SELECTION
---------------


   Select by Percentage of Top value: 75%
   Top RF = -3.11187
   Purge RF mean = -115.478
   Number of sets stored before final selection = 75
   Number of solutions stored before final selection = 3737
   Number of sets stored (deleted) after final selection = 38 (37)
   Number of solutions stored (deleted) after final selection = 580 (3157)
   Percent used for purge = 60%
      Includes deep search down percent = 15%
      Number of solutions stored above (below) deep threshold = 42 (538)

   Rotation Function Final Selection Table
   ---------------------------------------
   Rotation list length by SET
   SET#  Start Final Deleted Set (*)   Deep: Start Final Deleted Set (*)
      1  12    0           *                 59    1           -
      2  10    0           *                 39    0           *
      3  19    0           *                 53    9           -
      4  14    0           *                 60    0           *
      5  14    0           *                 49    1           -
      6  15    0           *                 50    0           *
      7  13    0           *                 51    2           -
      8  16    16          -                 55    55          -
      9  10    0           *                 51    0           *
     10  8     0           *                 38    0           *
     11  10    0           *                 51    0           *
     12  12    0           *                 53    0           *
     13  14    0           *                 56    0           *
     14  9     0           *                 51    0           *
     15  10    0           *                 50    0           *
     16  8     0           *                 37    0           *
     17  5     0           *                 34    0           *
     18  8     0           *                 32    0           *
     19  33    0           *                 70    0           *
     20  6     0           *                 28    1           -
     21  14    0           *                 63    0           *
     22  17    0           *                 54    0           *
     23  22    0           *                 61    0           *
     24  13    0           *                 39    1           -
     25  9     0           *                 33    1           -
     26  12    0           *                 50    1           -
     27  9     0           *                 47    0           *
     28  2     0           *                 19    1           -
     29  3     0           *                 30    0           *
     30  14    0           *                 46    4           -
     31  8     0           *                 32    0           *
     32  8     0           *                 43    0           *
     33  16    0           *                 42    4           -
     34  13    0           *                 44    0           *
     35  12    0           *                 51    0           *
     36  16    0           *                 43    0           *
     37  17    0           *                 62    0           *
     38  5     0           *                 30    0           *
     39  16    0           *                 40    0           *
     40  8     0           *                 44    0           *
     41  14    0           *                 50    0           *
     42  17    0           *                 49    0           *
     43  9     0           *                 38    0           *
     44  21    0           *                 61    0           *
     45  20    0           *                 56    0           *
     46  10    8           -                 49    49          -
     47  16    0           *                 61    13          -
     48  22    0           *                 80    5           -
     49  27    0           *                 69    0           *
     50  27    0           *                 56    17          -
     51  21    0           *                 74    9           -
     52  25    0           *                 73    28          -
     53  17    2           -                 59    52          -
     54  13    1           -                 45    23          -
     55  21    0           *                 64    0           *
     56  30    0           *                 75    28          -
     57  11    0           *                 53    7           -
     58  7     0           *                 24    1           -
     59  13    0           *                 45    16          -
     60  25    0           *                 73    17          -
     61  36    0           *                 72    13          -
     62  11    0           *                 38    7           -
     63  9     1           -                 33    24          -
     64  9     0           *                 37    1           -
     65  12    0           *                 52    6           -
     66  25    0           *                 84    13          -
     67  24    0           *                 69    26          -
     68  24    6           -                 70    70          -
     69  9     0           *                 34    0           *
     70  16    0           *                 50    5           -
     71  6     0           *                 25    1           -
     72  8     0           *                 34    12          -
     73  26    0           *                 56    26          -
     74  8     8           -                 30    30          -
     75  15    0           *                 59    0           *
   ALL   1084  42                            3737  580  


$TABLE : Rotation Function Component #5 (ensemble1) :
$GRAPHS 
:RF Number vs LL-gain:AUTO:1,2: :RF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1      -3.11  3.57
2      -3.87  3.53
3     -10.06  3.14
4     -10.99  3.08
5     -11.59  4.07
6     -11.64  3.04
7     -11.90  3.03
8     -12.04  3.02
9     -12.72  2.98
10     -12.91  2.97
11     -13.23  2.95
12     -14.28  2.88
13     -14.97  3.83
14     -15.32  2.82
15     -16.24  2.76
16     -16.75  2.73
17     -16.85  2.72
18     -17.08  2.71
19     -17.88  3.63
20     -18.29  2.63
21     -18.47  2.62
22     -18.77  3.81
23     -18.88  2.59
24     -19.15  2.58
25     -19.21  2.57
26     -19.23  2.57
27     -19.39  2.56
28     -19.43  2.56
29     -19.45  2.56
30     -19.81  2.54
31     -20.05  2.52
32     -20.09  2.52
33     -20.30  2.51
34     -20.57  2.49
35     -20.64  2.49
36     -21.15  2.45
37     -21.61  2.42
38     -21.92  2.41
39     -22.01  2.40
40     -22.43  3.31
41     -22.43  3.57
42     -22.98  2.34
43     -23.36  3.50
44     -23.47  3.50
45     -23.78  2.29
46     -23.86  3.20
47     -23.95  2.28
48     -24.01  2.28
49     -24.02  2.28
50     -24.03  2.27
51     -24.21  2.26
52     -24.21  3.18
53     -24.67  2.24
54     -24.75  2.23
55     -24.85  2.22
56     -25.04  2.21
57     -25.09  2.21
58     -25.18  3.11
59     -25.26  2.20
60     -25.40  2.19
61     -25.44  2.19
62     -25.46  3.09
63     -25.50  2.18
64     -25.51  2.18
65     -25.58  2.18
66     -25.72  2.17
67     -25.93  2.16
68     -26.27  3.03
69     -27.12  2.97
70     -27.53  3.46
71     -27.86  2.92
72     -28.43  3.40
73     -28.44  3.75
74     -28.52  3.71
75     -28.60  2.87
76     -28.80  3.37
77     -29.02  2.84
78     -29.05  3.35
79     -29.21  2.82
80     -29.51  2.80
81     -29.56  2.80
82     -29.62  2.80
83     -29.96  2.77
84     -30.09  3.28
85     -30.31  3.58
86     -30.49  3.03
87     -30.52  3.03
88     -30.70  3.24
89     -30.71  3.87
90     -31.00  3.00
91     -31.11  2.99
92     -31.27  3.20
93     -31.39  3.50
94     -31.41  2.67
95     -31.42  2.97
96     -31.50  2.66
97     -31.54  3.54
98     -31.69  3.17
99     -31.91  2.63
100     -32.02  3.14
101     -32.14  3.13
102     -32.48  2.59
103     -32.49  3.11
104     -32.67  3.41
105     -32.71  3.41
106     -32.73  3.70
107     -33.12  2.86
108     -33.16  2.86
109     -33.31  2.53
110     -33.47  3.40
111     -33.51  3.53
112     -33.54  2.83
113     -33.56  3.03
114     -33.61  2.51
115     -33.68  3.55
116     -33.75  2.82
117     -33.78  3.66
118     -33.84  3.01
119     -33.85  2.49
120     -34.01  3.00
121     -34.01  2.80
122     -34.05  2.48
123     -34.05  2.48
124     -34.09  3.36
125     -34.13  2.47
126     -34.18  3.51
127     -34.20  2.79
128     -34.22  2.47
129     -34.23  2.47
130     -34.47  3.28
131     -34.51  3.33
132     -34.53  2.96
133     -34.58  2.76
134     -34.72  3.48
135     -34.86  2.74
136     -34.94  3.25
137     -35.00  3.24
138     -35.14  3.79
139     -35.18  3.79
140     -35.19  2.92
141     -35.20  3.28
142     -35.30  2.71
143     -35.32  3.43
144     -35.40  3.21
145     -35.45  2.70
146     -35.56  3.39
147     -35.81  3.51
148     -36.08  3.22
149     -36.17  3.50
150     -36.25  2.84
151     -36.45  3.35
152     -36.46  2.64
153     -36.47  2.64
154     -36.58  3.63
155     -36.60  3.63
156     -36.61  3.35
157     -36.62  3.49
158     -36.73  3.31
159     -36.74  2.81
160     -36.75  2.62
161     -36.79  3.68
162     -36.89  3.44
163     -36.90  3.45
164     -36.92  3.42
165     -36.93  3.10
166     -36.98  3.41
167     -37.02  2.60
168     -37.10  3.42
169     -37.17  3.43
170     -37.35  3.58
171     -37.55  2.57
172     -37.67  3.38
173     -37.71  3.55
174     -37.79  2.55
175     -37.90  3.03
176     -37.92  3.03
177     -38.11  3.34
178     -38.16  3.19
179     -38.28  2.52
180     -38.29  3.07
181     -38.33  2.51
182     -38.34  2.51
183     -38.37  2.51
184     -38.37  2.51
185     -38.37  2.69
186     -38.38  2.51
187     -38.49  3.20
188     -38.51  2.50
189     -38.52  2.99
190     -38.61  2.49
191     -38.65  2.49
192     -38.69  2.49
193     -38.69  2.67
194     -38.79  2.97
195     -38.80  3.75
196     -38.81  3.48
197     -38.83  2.66
198     -38.84  3.35
199     -38.86  3.47
200     -38.89  3.31
201     -38.91  2.65
202     -38.92  3.29
203     -38.95  2.65
204     -39.00  3.16
205     -39.13  3.72
206     -39.26  2.63
207     -39.32  3.28
208     -39.35  2.45
209     -39.48  3.16
210     -39.55  3.16
211     -39.55  3.25
212     -39.57  3.15
213     -39.59  2.43
214     -39.75  2.90
215     -39.77  2.42
216     -39.82  3.10
217     -39.84  2.41
218     -39.92  3.09
219     -39.94  3.43
220     -39.95  2.58
221     -39.97  3.40
222     -39.97  3.49
223     -40.08  3.27
224     -40.08  3.12
225     -40.13  2.87
226     -40.17  3.31
227     -40.19  3.20
228     -40.21  3.38
229     -40.39  2.38
230     -40.42  3.45
231     -40.43  2.37
232     -40.43  3.20
233     -40.54  3.18
234     -40.62  3.03
235     -40.62  3.28
236     -40.63  3.41
237     -40.68  2.90
238     -40.69  2.36
239     -40.71  3.03
240     -40.79  2.35
241     -40.79  3.02
242     -40.89  2.51
243     -40.99  2.34
244     -41.05  3.01
245     -41.07  2.33
246     -41.13  2.49
247     -41.14  3.14
248     -41.14  2.80
249     -41.15  2.33
250     -41.24  3.04
251     -41.26  3.23
252     -41.28  2.48
253     -41.29  2.32
254     -41.29  3.04
255     -41.29  2.99
256     -41.33  2.48
257     -41.34  2.31
258     -41.40  2.48
259     -41.40  2.31
260     -41.41  3.03
261     -41.45  2.77
262     -41.47  3.11
263     -41.50  2.77
264     -41.53  3.12
265     -41.54  3.55
266     -41.56  3.00
267     -41.68  3.27
268     -41.73  3.10
269     -41.84  2.44
270     -41.87  2.44
271     -41.92  2.94
272     -41.99  3.38
273     -42.07  2.43
274     -42.10  4.16
275     -42.22  2.92
276     -42.22  2.42
277     -42.22  2.42
278     -42.23  2.42
279     -42.25  3.16
280     -42.27  2.71
281     -42.28  2.71
282     -42.29  3.01
283     -42.33  3.92
284     -42.41  2.70
285     -42.45  2.94
286     -42.47  2.96
287     -42.50  2.70
288     -42.58  4.16
289     -42.65  2.89
290     -42.65  2.39
291     -42.69  3.03
292     -42.70  3.03
293     -42.76  2.38
294     -42.78  2.88
295     -42.80  3.08
296     -42.81  3.18
297     -42.90  2.37
298     -42.94  3.18
299     -42.96  3.45
300     -42.97  2.90
301     -42.99  2.36
302     -43.01  2.36
303     -43.04  3.00
304     -43.15  2.92
305     -43.18  2.96
306     -43.20  2.85
307     -43.23  2.34
308     -43.25  2.99
309     -43.27  2.99
310     -43.30  2.84
311     -43.31  3.16
312     -43.38  2.33
313     -43.39  2.98
314     -43.42  2.33
315     -43.46  2.87
316     -43.47  2.97
317     -43.48  3.07
318     -43.50  2.97
319     -43.65  4.07
320     -43.65  2.88
321     -43.68  2.31
322     -43.69  3.14
323     -43.71  2.96
324     -43.71  2.85
325     -43.82  2.80
326     -43.83  3.49
327     -43.88  2.95
328     -43.90  2.94
329     -43.90  2.84
330     -43.95  2.95
331     -43.96  2.95
332     -43.99  2.94
333     -44.10  2.85
334     -44.11  3.32
335     -44.16  2.92
336     -44.18  2.92
337     -44.18  2.66
338     -44.18  3.10
339     -44.18  2.58
340     -44.19  4.19
341     -44.20  3.02
342     -44.23  2.77
343     -44.23  2.65
344     -44.24  2.65
345     -44.29  2.27
346     -44.33  2.57
347     -44.33  2.27
348     -44.36  2.88
349     -44.41  2.26
350     -44.43  2.77
351     -44.43  2.64
352     -44.44  2.26
353     -44.48  2.26
354     -44.50  3.69
355     -44.51  2.25
356     -44.55  2.25
357     -44.61  2.25
358     -44.63  2.89
359     -44.68  3.08
360     -44.69  2.89
361     -44.71  3.15
362     -44.72  3.13
363     -44.72  2.54
364     -44.73  2.24
365     -44.73  2.88
366     -44.74  3.15
367     -44.74  3.13
368     -44.74  2.54
369     -44.75  2.24
370     -44.75  2.62
371     -44.85  2.98
372     -44.85  2.61
373     -44.86  2.23
374     -44.89  2.87
375     -44.90  2.84
376     -44.92  2.94
377     -44.94  3.04
378     -44.95  2.77
379     -44.99  2.52
380     -45.04  2.51
381     -45.06  2.79
382     -45.08  2.59
383     -45.08  2.79
384     -45.09  2.51
385     -45.13  2.85
386     -45.14  2.70
387     -45.14  3.03
388     -45.15  2.59
389     -45.15  2.78
390     -45.15  2.78
391     -45.16  3.49
392     -45.17  2.78
393     -45.17  3.03
394     -45.17  2.59
395     -45.18  2.86
396     -45.20  2.76
397     -45.22  2.50
398     -45.22  2.20
399     -45.23  2.95
400     -45.25  2.20
401     -45.30  2.84
402     -45.31  2.71
403     -45.32  2.85
404     -45.32  2.58
405     -45.33  3.28
406     -45.33  2.75
407     -45.35  2.85
408     -45.37  2.49
409     -45.38  3.04
410     -45.39  2.84
411     -45.41  2.71
412     -45.43  2.49
413     -45.45  2.74
414     -45.46  3.73
415     -45.47  2.76
416     -45.49  2.48
417     -45.50  2.74
418     -45.51  2.83
419     -45.55  2.67
420     -45.58  2.73
421     -45.64  2.67
422     -45.64  2.67
423     -45.69  2.89
424     -45.69  3.02
425     -45.69  2.66
426     -45.71  2.72
427     -45.72  3.26
428     -45.77  3.76
429     -45.78  2.78
430     -45.80  2.82
431     -45.80  2.82
432     -45.83  2.54
433     -45.84  2.71
434     -45.85  2.16
435     -45.87  2.68
436     -45.87  2.71
437     -45.89  2.65
438     -45.91  2.71
439     -45.93  2.97
440     -45.93  2.71
441     -45.94  2.64
442     -45.99  2.73
443     -46.01  2.86
444     -46.02  2.70
445     -46.04  2.64
446     -46.09  3.02
447     -46.10  2.44
448     -46.12  2.14
449     -46.15  2.80
450     -46.16  2.43
451     -46.19  2.89
452     -46.21  3.42
453     -46.22  2.65
454     -46.22  2.75
455     -46.23  2.13
456     -46.24  2.43
457     -46.24  2.88
458     -46.28  2.69
459     -46.28  2.42
460     -46.30  2.42
461     -46.30  2.65
462     -46.32  2.51
463     -46.34  2.71
464     -46.36  3.00
465     -46.39  2.77
466     -46.41  2.77
467     -46.42  2.83
468     -46.43  3.41
469     -46.46  2.77
470     -46.47  2.67
471     -46.48  3.00
472     -46.52  2.11
473     -46.54  2.60
474     -46.57  3.16
475     -46.58  2.11
476     -46.61  3.00
477     -46.61  2.66
478     -46.61  2.99
479     -46.63  2.99
480     -46.63  2.10
481     -46.67  2.48
482     -46.69  2.39
483     -46.70  2.59
484     -46.71  2.92
485     -46.72  2.74
486     -46.72  2.39
487     -46.74  3.05
488     -46.77  3.18
489     -46.78  2.58
490     -46.79  2.09
491     -46.79  3.04
492     -46.82  2.47
493     -46.82  2.74
494     -46.83  2.09
495     -46.83  2.74
496     -46.83  2.67
497     -46.84  2.38
498     -46.88  2.74
499     -46.88  2.08
500     -46.89  2.08
501     -46.89  3.03
502     -46.92  2.71
503     -46.93  2.74
504     -46.94  2.08
505     -46.94  2.93
506     -46.95  2.98
507     -46.95  2.08
508     -46.97  2.66
509     -46.98  2.37
510     -46.98  2.60
511     -46.98  2.70
512     -46.99  2.72
513     -46.99  2.60
514     -47.02  2.73
515     -47.03  2.60
516     -47.03  2.90
517     -47.03  2.37
518     -47.04  2.72
519     -47.07  2.70
520     -47.08  2.92
521     -47.09  3.37
522     -47.10  2.97
523     -47.10  2.79
524     -47.10  3.10
525     -47.13  2.73
526     -47.13  2.73
527     -47.14  2.72
528     -47.16  3.02
529     -47.17  2.71
530     -47.21  3.12
531     -47.24  2.35
532     -47.25  2.35
533     -47.25  2.44
534     -47.25  3.09
535     -47.25  2.88
536     -47.26  4.10
537     -47.27  3.59
538     -47.29  2.35
539     -47.30  2.70
540     -47.31  2.58
541     -47.33  2.70
542     -47.33  2.81
543     -47.35  2.35
544     -47.36  2.68
545     -47.38  2.70
546     -47.39  2.34
547     -47.39  2.64
548     -47.40  3.14
549     -47.40  2.90
550     -47.47  2.69
551     -47.48  2.63
552     -47.52  3.10
553     -47.54  2.71
554     -47.56  2.33
555     -47.56  3.34
556     -47.56  2.89
557     -47.57  2.86
558     -47.58  2.33
559     -47.59  2.68
560     -47.59  2.79
561     -47.61  2.52
562     -47.69  2.85
563     -47.71  2.68
564     -47.73  2.32
565     -47.73  2.51
566     -47.74  2.65
567     -47.79  2.92
568     -47.82  2.84
569     -47.86  2.74
570     -47.88  2.54
571     -47.89  3.08
572     -47.90  2.66
573     -47.90  2.64
574     -47.90  2.54
575     -47.94  2.76
576     -47.96  2.68
577     -47.99  2.60
578     -48.01  2.64
579     -48.04  2.66
580     -48.05  2.86
581     -48.06  2.39
582     -48.07  2.66
583     -48.07  2.64
584     -48.07  2.72
585     -48.09  2.67
586     -48.09  2.96
587     -48.11  2.90
588     -48.13  2.38
589     -48.18  2.65
590     -48.18  2.58
591     -48.19  2.71
592     -48.20  2.63
593     -48.20  2.62
594     -48.21  2.62
595     -48.21  2.64
596     -48.23  2.62
597     -48.24  2.81
598     -48.25  2.37
599     -48.26  2.63
600     -48.27  3.51
601     -48.28  2.58
602     -48.29  2.65
603     -48.29  2.58
604     -48.31  2.74
605     -48.33  2.80
606     -48.36  2.70
607     -48.40  2.65
608     -48.42  3.02
609     -48.43  2.73
610     -48.45  2.70
611     -48.46  2.60
612     -48.48  2.72
613     -48.48  2.83
614     -48.52  2.62
615     -48.52  2.60
616     -48.54  2.35
617     -48.59  2.26
618     -48.59  2.35
619     -48.67  2.53
620     -48.67  2.44
621     -48.72  2.92
622     -48.72  2.60
623     -48.72  2.63
624     -48.74  2.48
625     -48.74  2.25
626     -48.75  2.71
627     -48.76  2.24
628     -48.79  2.54
629     -48.79  2.92
630     -48.80  2.62
631     -48.80  2.24
632     -48.81  2.81
633     -48.81  2.60
634     -48.84  2.85
635     -48.84  2.33
636     -48.84  2.48
637     -48.84  2.24
638     -48.85  2.24
639     -48.88  2.47
640     -48.90  3.47
641     -48.91  2.42
642     -48.91  2.23
643     -48.92  2.91
644     -48.95  2.58
645     -48.95  2.42
646     -48.96  2.47
647     -48.98  2.47
648     -48.99  2.57
649     -48.99  2.69
650     -49.00  2.51
651     -49.02  3.22
652     -49.03  2.41
653     -49.08  2.50
654     -49.08  2.50
655     -49.09  2.57
656     -49.10  2.56
657     -49.11  3.02
658     -49.17  2.40
659     -49.26  2.49
660     -49.26  2.82
661     -49.28  2.56
662     -49.29  2.86
663     -49.30  2.77
664     -49.31  2.39
665     -49.33  2.81
666     -49.34  2.99
667     -49.36  2.44
668     -49.37  3.42
669     -49.38  2.56
670     -49.38  2.88
671     -49.39  2.88
672     -49.42  2.63
673     -49.44  2.44
674     -49.44  2.55
675     -49.44  2.55
676     -49.45  2.50
677     -49.46  2.88
678     -49.49  2.47
679     -49.55  2.28
680     -49.55  2.65
681     -49.56  2.62
682     -49.57  2.84
683     -49.57  2.57
684     -49.58  2.84
685     -49.58  2.98
686     -49.59  2.62
687     -49.59  2.62
688     -49.60  2.43
689     -49.60  2.71
690     -49.61  2.43
691     -49.64  2.71
692     -49.66  2.64
693     -49.66  2.37
694     -49.66  2.28
695     -49.67  2.28
696     -49.68  2.56
697     -49.70  2.53
698     -49.71  2.53
699     -49.72  2.70
700     -49.72  2.42
701     -49.73  2.96
702     -49.77  2.56
703     -49.79  2.85
704     -49.81  2.53
705     -49.84  2.51
706     -49.84  2.45
707     -49.85  2.55
708     -49.86  2.85
709     -49.87  2.69
710     -49.91  2.35
711     -49.92  2.47
712     -49.93  2.95
713     -49.93  2.35
714     -49.94  2.35
715     -49.96  2.51
716     -49.96  2.85
717     -49.99  2.62
718     -50.02  2.44
719     -50.03  2.83
720     -50.06  2.51
721     -50.08  2.50
722     -50.10  2.33
723     -50.12  2.33
724     -50.21  2.58
725     -50.23  2.49
726     -50.25  2.71
727     -50.25  2.67
728     -50.26  2.42
729     -50.31  2.38
730     -50.33  2.71
731     -50.35  3.15
732     -50.35  2.44
733     -50.35  2.66
734     -50.35  2.32
735     -50.36  2.44
736     -50.39  2.93
737     -50.42  2.31
738     -50.42  2.49
739     -50.43  2.43
740     -50.44  2.70
741     -50.45  2.49
742     -50.46  2.70
743     -50.48  2.56
744     -50.49  2.80
745     -50.51  2.47
746     -50.52  2.47
747     -50.53  2.43
748     -50.53  2.30
749     -50.54  2.91
750     -50.57  2.73
751     -50.57  2.36
752     -50.63  2.68
753     -50.65  2.72
754     -50.65  2.46
755     -50.66  2.40
756     -50.72  2.54
757     -50.79  2.46
758     -50.80  2.46
759     -50.81  2.67
760     -50.82  2.78
761     -50.82  2.56
762     -50.82  2.78
763     -50.84  2.46
764     -50.85  2.67
765     -50.85  2.67
766     -50.86  2.78
767     -50.87  2.78
768     -50.88  2.34
769     -50.89  2.53
770     -50.90  3.43
771     -50.90  2.27
772     -50.90  2.80
773     -50.92  2.67
774     -50.92  2.55
775     -50.94  2.44
776     -50.94  2.44
777     -50.94  2.40
778     -50.98  2.55
779     -51.05  2.54
780     -51.08  2.43
781     -51.09  2.43
782     -51.09  2.39
783     -51.09  2.39
784     -51.10  3.85
785     -51.11  2.26
786     -51.11  2.43
787     -51.14  2.26
788     -51.17  2.69
789     -51.17  2.42
790     -51.20  2.42
791     -51.21  2.42
792     -51.23  2.76
793     -51.25  2.68
794     -51.25  2.25
795     -51.25  2.87
796     -51.26  2.50
797     -51.26  2.25
798     -51.27  2.78
799     -51.30  2.59
800     -51.31  2.64
801     -51.31  2.42
802     -51.32  2.42
803     -51.32  3.22
804     -51.34  2.24
805     -51.34  2.37
806     -51.34  2.68
807     -51.38  2.41
808     -51.40  2.45
809     -51.41  2.42
810     -51.41  2.24
811     -51.48  2.63
812     -51.49  2.85
813     -51.50  2.23
814     -51.51  2.40
815     -51.51  3.98
816     -51.52  2.44
817     -51.52  2.58
818     -51.53  2.34
819     -51.55  2.40
820     -51.55  2.34
821     -51.55  2.34
822     -51.57  2.34
823     -51.59  2.40
824     -51.60  2.22
825     -51.62  2.40
826     -51.63  2.48
827     -51.65  2.39
828     -51.66  2.39
829     -51.67  2.39
830     -51.67  2.29
831     -51.70  2.61
832     -51.71  2.38
833     -51.73  2.21
834     -51.73  2.73
835     -51.74  2.47
836     -51.75  2.21
837     -51.77  2.39
838     -51.77  2.34
839     -51.78  2.39
840     -51.81  2.56
841     -51.82  2.46
842     -51.82  2.38
843     -51.83  2.34
844     -51.84  2.42
845     -51.84  2.34
846     -51.85  2.83
847     -51.86  2.20
848     -51.87  2.34
849     -51.89  2.32
850     -51.89  2.38
851     -51.90  2.38
852     -51.90  2.38
853     -51.91  2.20
854     -51.94  2.27
855     -51.95  2.37
856     -51.96  2.20
857     -51.97  3.36
858     -51.97  2.19
859     -51.97  2.37
860     -52.00  2.73
861     -52.01  2.71
862     -52.03  3.39
863     -52.03  2.19
864     -52.04  2.19
865     -52.05  2.59
866     -52.06  2.81
867     -52.06  2.31
868     -52.07  2.36
869     -52.10  2.40
870     -52.13  2.37
871     -52.16  2.47
872     -52.18  2.35
873     -52.22  2.35
874     -52.23  2.35
875     -52.24  2.31
876     -52.26  2.69
877     -52.29  2.35
878     -52.34  2.71
879     -52.34  2.31
880     -52.34  2.57
881     -52.35  2.35
882     -52.37  2.43
883     -52.37  2.52
884     -52.39  2.57
885     -52.40  2.52
886     -52.41  2.30
887     -52.42  3.14
888     -52.43  2.78
889     -52.43  3.25
890     -52.45  2.42
891     -52.47  2.30
892     -52.47  3.43
893     -52.47  2.70
894     -52.50  2.16
895     -52.52  3.36
896     -52.53  2.34
897     -52.54  3.01
898     -52.55  2.44
899     -52.55  2.70
900     -52.56  2.27
901     -52.57  2.33
902     -52.57  2.34
903     -52.57  2.33
904     -52.58  2.41
905     -52.59  2.33
906     -52.60  2.33
907     -52.60  2.41
908     -52.61  3.93
909     -52.62  3.04
910     -52.63  2.32
911     -52.63  2.32
912     -52.65  2.41
913     -52.66  2.41
914     -52.66  2.33
915     -52.66  2.32
916     -52.69  2.31
917     -52.70  2.69
918     -52.70  2.69
919     -52.70  2.33
920     -52.72  2.26
921     -52.74  2.43
922     -52.74  2.28
923     -52.74  2.31
924     -52.74  2.43
925     -52.75  2.54
926     -52.81  2.40
927     -52.83  2.48
928     -52.83  2.54
929     -52.86  2.13
930     -52.86  2.31
931     -52.87  2.13
932     -52.87  2.48
933     -52.90  2.35
934     -52.90  3.11
935     -52.91  2.13
936     -52.91  2.68
937     -52.92  2.75
938     -52.93  2.77
939     -52.93  2.39
940     -52.95  2.31
941     -52.95  2.65
942     -52.95  2.25
943     -52.96  2.53
944     -52.98  2.26
945     -53.00  2.24
946     -53.01  2.47
947     -53.01  2.12
948     -53.03  2.12
949     -53.04  2.30
950     -53.08  2.40
951     -53.08  2.26
952     -53.10  2.26
953     -53.11  2.24
954     -53.11  2.38
955     -53.12  2.30
956     -53.15  2.37
957     -53.17  2.11
958     -53.17  2.29
959     -53.19  2.10
960     -53.21  2.18
961     -53.22  2.29
962     -53.22  3.09
963     -53.23  2.18
964     -53.23  2.32
965     -53.23  2.76
966     -53.24  3.36
967     -53.26  2.23
968     -53.29  2.29
969     -53.29  2.29
970     -53.29  2.27
971     -53.30  2.39
972     -53.32  2.36
973     -53.32  4.06
974     -53.32  2.36
975     -53.32  2.24
976     -53.35  2.32
977     -53.35  2.73
978     -53.35  2.09
979     -53.35  2.36
980     -53.36  2.45
981     -53.37  2.38
982     -53.37  2.75
983     -53.39  2.50
984     -53.39  2.26
985     -53.40  2.44
986     -53.40  2.22
987     -53.42  2.22
988     -53.45  2.61
989     -53.46  2.31
990     -53.47  2.74
991     -53.48  2.31
992     -53.49  2.53
993     -53.49  2.35
994     -53.49  2.23
995     -53.51  2.65
996     -53.51  2.27
997     -53.52  2.71
998     -53.53  2.23
999     -53.53  2.25
1000     -53.55  2.43
1001     -53.57  2.25
1002     -53.59  2.74
1003     -53.60  3.06
1004     -53.63  2.64
1005     -53.64  2.26
1006     -53.64  2.22
1007     -53.65  2.22
1008     -53.65  2.22
1009     -53.68  2.07
1010     -53.70  3.19
1011     -53.71  2.69
1012     -53.71  2.60
1013     -53.71  2.29
1014     -53.72  2.33
1015     -53.72  2.42
1016     -53.77  2.06
1017     -53.77  2.71
1018     -53.77  2.42
1019     -53.78  2.35
1020     -53.78  2.69
1021     -53.80  2.21
1022     -53.80  3.53
1023     -53.80  2.59
1024     -53.82  2.25
1025     -53.83  2.69
1026     -53.83  2.14
1027     -53.83  3.25
1028     -53.84  2.21
1029     -53.88  2.23
1030     -53.88  2.20
1031     -53.89  2.50
1032     -53.91  2.41
1033     -53.92  2.18
1034     -53.92  2.41
1035     -53.93  2.32
1036     -53.94  2.14
1037     -53.95  3.28
1038     -53.95  2.58
1039     -53.96  2.18
1040     -53.96  2.24
1041     -53.97  2.46
1042     -53.99  2.27
1043     -53.99  2.20
1044     -53.99  2.69
1045     -54.01  2.97
1046     -54.01  2.31
1047     -54.02  3.03
1048     -54.02  2.20
1049     -54.04  2.23
1050     -54.04  2.23
1051     -54.05  2.17
1052     -54.05  2.23
1053     -54.05  2.23
1054     -54.06  2.23
1055     -54.08  2.61
1056     -54.08  2.45
1057     -54.09  2.49
1058     -54.10  2.19
1059     -54.11  3.27
1060     -54.12  2.26
1061     -54.13  2.23
1062     -54.13  3.30
1063     -54.14  2.71
1064     -54.19  2.22
1065     -54.19  2.22
1066     -54.21  2.57
1067     -54.22  2.22
1068     -54.22  2.18
1069     -54.23  2.61
1070     -54.23  2.39
1071     -54.23  2.32
1072     -54.25  2.22
1073     -54.26  2.11
1074     -54.28  2.20
1075     -54.28  2.38
1076     -54.28  2.67
1077     -54.30  2.21
1078     -54.31  2.18
1079     -54.31  2.29
1080     -54.32  2.11
1081     -54.33  2.60
1082     -54.34  2.56
1083     -54.37  2.29
1084     -54.37  3.01
1085     -54.38  3.55
1086     -54.39  2.29
1087     -54.41  2.55
1088     -54.41  2.60
1089     -54.42  2.15
1090     -54.43  2.29
1091     -54.44  3.28
1092     -54.44  2.31
1093     -54.45  2.94
1094     -54.46  2.20
1095     -54.48  2.46
1096     -54.49  2.20
1097     -54.50  3.65
1098     -54.51  2.28
1099     -54.53  2.30
1100     -54.54  2.16
1101     -54.56  2.36
1102     -54.57  2.30
1103     -54.57  2.16
1104     -54.57  3.14
1105     -54.59  2.16
1106     -54.61  2.36
1107     -54.61  2.14
1108     -54.63  2.42
1109     -54.64  2.19
1110     -54.65  3.13
1111     -54.65  2.27
1112     -54.66  2.45
1113     -54.67  2.19
1114     -54.68  2.68
1115     -54.68  2.09
1116     -54.70  2.29
1117     -54.71  2.19
1118     -54.72  2.22
1119     -54.75  2.18
1120     -54.77  2.28
1121     -54.78  2.18
1122     -54.80  3.31
1123     -54.81  2.98
1124     -54.81  2.58
1125     -54.82  2.57
1126     -54.83  2.18
1127     -54.84  2.40
1128     -54.84  2.28
1129     -54.85  2.12
1130     -54.85  2.58
1131     -54.85  2.40
1132     -54.89  2.14
1133     -54.90  2.28
1134     -54.94  2.52
1135     -54.95  2.40
1136     -54.96  2.58
1137     -54.97  3.24
1138     -54.97  2.92
1139     -54.98  2.27
1140     -54.99  2.17
1141     -55.00  2.06
1142     -55.00  2.13
1143     -55.06  2.42
1144     -55.09  2.16
1145     -55.10  2.16
1146     -55.10  2.16
1147     -55.11  3.50
1148     -55.11  2.84
1149     -55.12  2.32
1150     -55.13  2.55
1151     -55.15  2.05
1152     -55.20  3.10
1153     -55.21  2.41
1154     -55.24  2.15
1155     -55.24  2.23
1156     -55.24  2.50
1157     -55.26  2.31
1158     -55.27  2.61
1159     -55.28  2.23
1160     -55.28  2.40
1161     -55.29  2.82
1162     -55.30  2.23
1163     -55.30  2.61
1164     -55.30  2.15
1165     -55.30  2.58
1166     -55.30  2.04
1167     -55.31  2.31
1168     -55.31  3.21
1169     -55.32  2.15
1170     -55.32  2.14
1171     -55.35  2.31
1172     -55.35  3.57
1173     -55.35  3.09
1174     -55.36  2.37
1175     -55.37  2.90
1176     -55.37  2.37
1177     -55.37  2.49
1178     -55.40  2.40
1179     -55.41  2.22
1180     -55.43  2.24
1181     -55.48  2.21
1182     -55.50  2.30
1183     -55.51  2.30
1184     -55.51  2.36
1185     -55.53  2.03
1186     -55.54  2.21
1187     -55.54  2.13
1188     -55.55  2.89
1189     -55.56  2.23
1190     -55.58  2.29
1191     -55.59  2.03
1192     -55.59  2.35
1193     -55.61  2.23
1194     -55.61  2.92
1195     -55.63  2.13
1196     -55.67  2.28
1197     -55.68  2.22
1198     -55.72  2.12
1199     -55.72  2.34
1200     -55.73  2.47
1201     -55.75  3.18
1202     -55.77  2.01
1203     -55.77  2.11
1204     -55.81  2.91
1205     -55.85  2.01
1206     -55.86  2.34
1207     -55.86  2.01
1208     -55.87  2.10
1209     -55.91  2.11
1210     -55.93  2.54
1211     -55.95  2.20
1212     -55.96  3.88
1213     -55.97  2.53
1214     -56.00  3.16
1215     -56.00  2.20
1216     -56.01  2.60
1217     -56.06  2.19
1218     -56.06  2.26
1219     -56.07  1.99
1220     -56.07  2.26
1221     -56.09  1.99
1222     -56.09  2.35
1223     -56.10  2.17
1224     -56.10  2.17
1225     -56.11  2.52
1226     -56.12  2.52
1227     -56.12  3.04
1228     -56.12  3.16
1229     -56.13  2.86
1230     -56.14  2.89
1231     -56.15  2.25
1232     -56.16  2.31
1233     -56.16  2.52
1234     -56.16  2.55
1235     -56.18  2.34
1236     -56.19  2.52
1237     -56.19  2.89
1238     -56.20  2.25
1239     -56.20  3.15
1240     -56.22  3.70
1241     -56.24  2.55
1242     -56.24  2.24
1243     -56.25  1.98
1244     -56.26  2.43
1245     -56.29  3.04
1246     -56.29  2.09
1247     -56.30  2.08
1248     -56.34  2.17
1249     -56.34  2.08
1250     -56.35  2.17
1251     -56.36  2.54
1252     -56.37  2.43
1253     -56.37  2.50
1254     -56.38  2.17
1255     -56.38  1.97
1256     -56.41  2.23
1257     -56.41  2.30
1258     -56.42  3.03
1259     -56.42  1.97
1260     -56.43  2.42
1261     -56.44  2.23
1262     -56.44  2.17
1263     -56.45  2.15
1264     -56.46  1.97
1265     -56.49  2.47
1266     -56.50  3.08
1267     -56.52  2.50
1268     -56.52  2.53
1269     -56.53  3.55
1270     -56.56  2.49
1271     -56.57  2.16
1272     -56.58  2.16
1273     -56.60  2.16
1274     -56.61  2.15
1275     -56.65  1.95
1276     -56.66  2.28
1277     -56.66  3.01
1278     -56.68  3.40
1279     -56.68  2.15
1280     -56.68  2.48
1281     -56.71  2.06
1282     -56.71  1.95
1283     -56.73  2.13
1284     -56.73  2.13
1285     -56.73  2.52
1286     -56.73  2.40
1287     -56.73  3.22
1288     -56.76  3.40
1289     -56.77  2.48
1290     -56.78  2.30
1291     -56.79  2.51
1292     -56.79  2.05
1293     -56.80  2.48
1294     -56.80  2.27
1295     -56.80  2.48
1296     -56.80  3.17
1297     -56.80  2.12
1298     -56.81  2.72
1299     -56.83  2.47
1300     -56.85  2.84
1301     -56.85  2.45
1302     -56.87  2.39
1303     -56.89  2.56
1304     -56.90  2.20
1305     -56.91  2.55
1306     -56.91  2.29
1307     -56.91  2.84
1308     -56.91  3.10
1309     -56.92  2.82
1310     -56.92  2.47
1311     -56.94  2.82
1312     -56.95  3.52
1313     -56.97  2.19
1314     -56.97  3.05
1315     -56.99  2.46
1316     -57.08  2.12
1317     -57.08  2.10
1318     -57.10  2.38
1319     -57.11  2.18
1320     -57.11  2.70
1321     -57.12  1.92
1322     -57.13  2.47
1323     -57.15  2.44
1324     -57.16  2.10
1325     -57.16  2.12
1326     -57.17  2.18
1327     -57.17  2.38
1328     -57.18  2.43
1329     -57.18  2.45
1330     -57.19  2.99
1331     -57.21  3.03
1332     -57.21  2.24
1333     -57.25  2.80
1334     -57.25  2.17
1335     -57.26  2.27
1336     -57.26  2.02
1337     -57.27  2.27
1338     -57.28  2.37
1339     -57.30  2.27
1340     -57.30  3.11
1341     -57.33  2.17
1342     -57.33  2.24
1343     -57.34  2.17
1344     -57.35  2.09
1345     -57.36  2.23
1346     -57.37  2.36
1347     -57.37  2.44
1348     -57.40  2.10
1349     -57.43  2.45
1350     -57.43  3.02
1351     -57.43  2.47
1352     -57.43  2.47
1353     -57.43  2.26
1354     -57.44  2.26
1355     -57.46  2.10
1356     -57.48  2.47
1357     -57.49  3.73
1358     -57.50  2.45
1359     -57.51  2.96
1360     -57.54  2.22
1361     -57.55  2.09
1362     -57.58  2.15
1363     -57.59  2.46
1364     -57.59  2.44
1365     -57.60  2.25
1366     -57.61  2.15
1367     -57.61  2.52
1368     -57.61  2.15
1369     -57.64  2.67
1370     -57.65  2.21
1371     -57.69  2.06
1372     -57.70  2.41
1373     -57.70  2.08
1374     -57.70  2.08
1375     -57.71  3.36
1376     -57.73  2.08
1377     -57.73  2.34
1378     -57.75  2.41
1379     -57.76  2.66
1380     -57.76  2.66
1381     -57.77  2.07
1382     -57.78  2.06
1383     -57.78  2.34
1384     -57.79  2.34
1385     -57.80  2.95
1386     -57.81  2.33
1387     -57.83  2.40
1388     -57.84  2.23
1389     -57.84  2.05
1390     -57.84  2.66
1391     -57.84  2.05
1392     -57.85  2.33
1393     -57.86  2.40
1394     -57.86  2.65
1395     -57.87  2.07
1396     -57.87  2.05
1397     -57.87  2.23
1398     -57.91  2.13
1399     -57.91  2.20
1400     -57.91  2.05
1401     -57.93  3.12
1402     -57.94  2.39
1403     -57.94  2.43
1404     -57.95  2.19
1405     -57.95  3.71
1406     -57.96  2.76
1407     -57.96  2.32
1408     -57.97  2.32
1409     -57.97  2.76
1410     -57.97  2.44
1411     -57.98  2.06
1412     -57.98  2.06
1413     -57.98  2.19
1414     -57.99  2.39
1415     -58.00  2.04
1416     -58.01  3.02
1417     -58.02  2.39
1418     -58.02  2.22
1419     -58.03  3.15
1420     -58.04  1.97
1421     -58.05  2.04
1422     -58.05  2.04
1423     -58.08  2.19
1424     -58.09  2.05
1425     -58.10  3.01
1426     -58.10  2.32
1427     -58.10  2.42
1428     -58.11  3.11
1429     -58.14  2.38
1430     -58.15  2.38
1431     -58.15  2.94
1432     -58.16  2.05
1433     -58.19  2.03
1434     -58.21  2.10
1435     -58.21  2.75
1436     -58.22  3.27
1437     -58.23  2.18
1438     -58.23  2.42
1439     -58.24  2.10
1440     -58.26  2.37
1441     -58.26  3.30
1442     -58.26  2.31
1443     -58.30  2.96
1444     -58.30  2.02
1445     -58.30  2.04
1446     -58.32  2.10
1447     -58.33  2.93
1448     -58.33  2.62
1449     -58.37  2.30
1450     -58.38  2.47
1451     -58.39  2.03
1452     -58.43  2.03
1453     -58.45  2.36
1454     -58.50  1.94
1455     -58.53  2.02
1456     -58.55  1.93
1457     -58.60  1.93
1458     -58.62  2.40
1459     -58.62  2.01
1460     -58.63  3.41
1461     -58.64  1.93
1462     -58.64  2.40
1463     -58.64  2.28
1464     -58.65  2.01
1465     -58.65  3.08
1466     -58.66  2.60
1467     -58.67  2.91
1468     -58.72  2.35
1469     -58.73  2.73
1470     -58.74  2.60
1471     -58.76  2.34
1472     -58.76  2.00
1473     -58.76  2.00
1474     -58.78  3.82
1475     -58.79  3.40
1476     -58.82  2.38
1477     -58.82  2.45
1478     -58.85  2.38
1479     -58.89  2.33
1480     -58.89  2.00
1481     -58.90  2.59
1482     -58.93  2.70
1483     -58.95  1.99
1484     -58.96  1.99
1485     -58.98  3.03
1486     -59.00  1.99
1487     -59.07  2.44
1488     -59.09  3.06
1489     -59.10  2.43
1490     -59.12  2.37
1491     -59.13  2.57
1492     -59.16  2.43
1493     -59.17  3.41
1494     -59.18  2.36
1495     -59.19  2.43
1496     -59.22  2.30
1497     -59.22  2.30
1498     -59.23  2.36
1499     -59.25  1.89
1500     -59.29  2.30
1501     -59.30  2.30
1502     -59.31  1.88
1503     -59.35  2.42
1504     -59.36  3.01
1505     -59.36  2.56
1506     -59.39  3.33
1507     -59.40  2.55
1508     -59.40  2.92
1509     -59.41  2.85
1510     -59.44  2.35
1511     -59.48  2.41
1512     -59.55  2.28
1513     -59.57  1.87
1514     -59.58  2.30
1515     -59.66  2.27
1516     -59.67  2.90
1517     -59.68  2.68
1518     -59.69  2.40
1519     -59.70  2.83
1520     -59.71  2.53
1521     -59.75  3.02
1522     -59.79  2.84
1523     -59.84  2.26
1524     -59.84  3.32
1525     -59.86  2.82
1526     -59.87  1.85
1527     -59.90  2.26
1528     -59.94  2.99
1529     -59.95  1.84
1530     -59.96  2.88
1531     -59.99  2.27
1532     -60.03  2.97
1533     -60.03  2.32
1534     -60.07  1.83
1535     -60.08  2.32
1536     -60.09  2.24
1537     -60.10  1.83
1538     -60.14  2.26
1539     -60.16  2.61
1540     -60.17  2.26
1541     -60.17  2.61
1542     -60.19  1.83
1543     -60.22  2.26
1544     -60.22  2.30
1545     -60.23  2.98
1546     -60.24  2.29
1547     -60.26  2.37
1548     -60.28  2.26
1549     -60.28  2.60
1550     -60.30  2.65
1551     -60.37  3.04
1552     -60.39  2.28
1553     -60.44  1.81
1554     -60.45  2.48
1555     -60.52  2.63
1556     -60.55  2.30
1557     -60.56  2.27
1558     -60.56  2.29
1559     -60.57  2.48
1560     -60.58  3.15
1561     -60.61  2.83
1562     -60.63  3.27
1563     -60.64  2.83
1564     -60.65  2.47
1565     -60.67  3.02
1566     -60.67  2.35
1567     -60.67  2.27
1568     -60.68  2.27
1569     -60.75  2.26
1570     -60.76  2.29
1571     -60.76  2.26
1572     -60.77  2.23
1573     -60.78  2.26
1574     -60.80  2.23
1575     -60.81  3.26
1576     -60.81  3.12
1577     -60.84  2.76
1578     -60.87  3.14
1579     -60.87  3.20
1580     -60.91  2.25
1581     -60.94  3.25
1582     -60.97  2.56
1583     -60.99  3.73
1584     -61.02  2.33
1585     -61.03  3.66
1586     -61.09  2.24
1587     -61.11  2.95
1588     -61.11  2.60
1589     -61.12  2.55
1590     -61.21  3.10
1591     -61.24  2.93
1592     -61.24  2.79
1593     -61.29  2.26
1594     -61.30  2.59
1595     -61.36  2.22
1596     -61.36  2.19
1597     -61.40  2.31
1598     -61.40  2.53
1599     -61.41  2.53
1600     -61.41  2.53
1601     -61.41  2.73
1602     -61.44  2.25
1603     -61.44  2.22
1604     -61.45  2.98
1605     -61.45  2.30
1606     -61.46  2.90
1607     -61.47  2.19
1608     -61.47  3.22
1609     -61.50  2.72
1610     -61.50  2.25
1611     -61.50  2.41
1612     -61.52  2.18
1613     -61.53  2.75
1614     -61.57  2.98
1615     -61.58  2.30
1616     -61.63  2.72
1617     -61.64  2.41
1618     -61.65  2.21
1619     -61.68  3.20
1620     -61.70  2.20
1621     -61.73  2.74
1622     -61.75  3.20
1623     -61.76  2.20
1624     -61.77  2.74
1625     -61.79  3.08
1626     -61.83  3.62
1627     -61.83  2.57
1628     -61.85  2.50
1629     -61.86  2.70
1630     -61.88  2.19
1631     -61.90  3.42
1632     -61.92  3.13
1633     -61.92  2.87
1634     -61.95  2.70
1635     -61.96  2.38
1636     -61.99  2.18
1637     -62.00  2.69
1638     -62.03  2.27
1639     -62.04  2.73
1640     -62.05  2.27
1641     -62.05  3.05
1642     -62.05  2.72
1643     -62.06  2.18
1644     -62.07  2.55
1645     -62.10  3.14
1646     -62.10  2.18
1647     -62.12  2.95
1648     -62.14  2.72
1649     -62.15  3.17
1650     -62.15  2.37
1651     -62.15  2.55
1652     -62.16  2.17
1653     -62.17  2.21
1654     -62.18  3.04
1655     -62.19  2.55
1656     -62.21  2.86
1657     -62.21  2.89
1658     -62.22  2.72
1659     -62.26  2.89
1660     -62.28  2.21
1661     -62.30  2.36
1662     -62.31  2.26
1663     -62.33  3.11
1664     -62.35  2.36
1665     -62.35  2.46
1666     -62.38  2.20
1667     -62.38  2.25
1668     -62.42  3.25
1669     -62.44  2.70
1670     -62.44  2.15
1671     -62.44  2.54
1672     -62.45  4.09
1673     -62.49  2.25
1674     -62.50  2.70
1675     -62.50  2.15
1676     -62.54  2.15
1677     -62.59  2.45
1678     -62.60  2.19
1679     -62.61  2.34
1680     -62.61  2.19
1681     -62.63  2.93
1682     -62.66  2.14
1683     -62.67  2.14
1684     -62.68  2.14
1685     -62.69  3.11
1686     -62.73  2.19
1687     -62.75  2.33
1688     -62.76  3.10
1689     -62.80  2.68
1690     -62.80  2.11
1691     -62.81  2.13
1692     -62.82  2.33
1693     -62.82  2.33
1694     -62.82  2.64
1695     -62.86  2.33
1696     -62.87  2.67
1697     -62.88  2.67
1698     -62.88  3.12
1699     -62.88  2.91
1700     -62.90  2.51
1701     -62.90  2.64
1702     -62.92  2.82
1703     -62.92  2.10
1704     -62.92  2.12
1705     -62.95  3.57
1706     -62.96  2.12
1707     -62.98  2.67
1708     -62.98  2.82
1709     -63.01  2.51
1710     -63.01  2.17
1711     -63.03  2.66
1712     -63.03  2.63
1713     -63.04  3.11
1714     -63.04  2.31
1715     -63.05  2.12
1716     -63.05  2.31
1717     -63.07  2.85
1718     -63.08  2.66
1719     -63.09  3.11
1720     -63.10  2.99
1721     -63.12  3.39
1722     -63.14  2.50
1723     -63.18  2.11
1724     -63.19  2.90
1725     -63.20  2.66
1726     -63.21  2.65
1727     -63.21  2.40
1728     -63.24  3.08
1729     -63.24  2.99
1730     -63.26  2.08
1731     -63.26  2.10
1732     -63.28  2.80
1733     -63.32  2.64
1734     -63.37  2.08
1735     -63.37  2.64
1736     -63.37  2.65
1737     -63.39  2.09
1738     -63.41  2.89
1739     -63.45  2.63
1740     -63.46  2.19
1741     -63.46  2.29
1742     -63.54  2.64
1743     -63.54  3.03
1744     -63.54  2.62
1745     -63.55  2.64
1746     -63.58  2.38
1747     -63.58  2.64
1748     -63.65  2.08
1749     -63.67  2.08
1750     -63.68  2.63
1751     -63.71  2.27
1752     -63.74  2.37
1753     -63.78  2.07
1754     -63.81  2.07
1755     -63.81  3.84
1756     -63.85  2.58
1757     -63.85  2.60
1758     -63.86  2.06
1759     -63.88  2.60
1760     -63.89  2.17
1761     -63.91  2.36
1762     -63.92  2.58
1763     -63.93  3.10
1764     -63.93  2.60
1765     -63.94  2.60
1766     -63.97  2.12
1767     -63.98  3.05
1768     -63.98  2.80
1769     -63.99  3.53
1770     -63.99  2.12
1771     -64.04  2.16
1772     -64.09  2.12
1773     -64.11  2.05
1774     -64.12  2.24
1775     -64.15  2.79
1776     -64.16  2.05
1777     -64.18  2.04
1778     -64.19  2.24
1779     -64.19  2.79
1780     -64.23  2.33
1781     -64.25  2.23
1782     -64.26  2.04
1783     -64.26  2.33
1784     -64.31  2.14
1785     -64.40  2.44
1786     -64.41  2.32
1787     -64.41  2.59
1788     -64.41  3.08
1789     -64.42  2.43
1790     -64.44  2.91
1791     -64.44  3.14
1792     -64.44  2.56
1793     -64.45  2.56
1794     -64.46  2.43
1795     -64.47  2.10
1796     -64.48  3.31
1797     -64.48  3.49
1798     -64.51  2.43
1799     -64.54  2.78
1800     -64.55  2.77
1801     -64.56  3.51
1802     -64.57  2.02
1803     -64.61  2.13
1804     -64.63  2.55
1805     -64.65  2.01
1806     -64.66  2.30
1807     -64.71  2.57
1808     -64.72  2.01
1809     -64.77  2.89
1810     -64.82  2.76
1811     -64.82  2.29
1812     -64.82  2.53
1813     -64.84  2.12
1814     -64.88  2.52
1815     -64.89  2.11
1816     -64.89  2.29
1817     -64.91  2.54
1818     -64.93  2.00
1819     -64.95  2.88
1820     -64.96  2.11
1821     -64.96  2.52
1822     -65.00  2.54
1823     -65.03  2.28
1824     -65.03  2.87
1825     -65.05  2.53
1826     -65.06  2.52
1827     -65.07  2.75
1828     -65.09  2.87
1829     -65.14  2.97
1830     -65.22  2.27
1831     -65.25  2.91
1832     -65.30  2.50
1833     -65.41  2.25
1834     -65.41  3.03
1835     -65.41  2.73
1836     -65.44  2.15
1837     -65.45  2.97
1838     -65.48  2.15
1839     -65.57  2.15
1840     -65.60  2.24
1841     -65.61  2.37
1842     -65.62  2.96
1843     -65.71  2.14
1844     -65.75  2.13
1845     -65.75  3.26
1846     -65.80  2.36
1847     -65.88  2.87
1848     -65.89  3.30
1849     -65.89  2.87
1850     -65.90  2.51
1851     -65.91  2.46
1852     -65.92  2.12
1853     -65.93  2.46
1854     -65.94  3.07
1855     -65.94  2.36
1856     -65.96  3.00
1857     -65.97  2.46
1858     -65.99  2.50
1859     -66.00  2.82
1860     -66.03  2.45
1861     -66.05  2.94
1862     -66.05  2.94
1863     -66.07  2.50
1864     -66.07  2.50
1865     -66.07  2.47
1866     -66.09  2.21
1867     -66.10  2.81
1868     -66.10  2.70
1869     -66.10  2.35
1870     -66.17  2.49
1871     -66.20  2.44
1872     -66.22  2.44
1873     -66.23  2.85
1874     -66.23  2.65
1875     -66.23  2.75
1876     -66.24  2.75
1877     -66.27  3.28
1878     -66.28  2.46
1879     -66.30  2.80
1880     -66.39  2.79
1881     -66.40  2.33
1882     -66.42  2.48
1883     -66.42  2.43
1884     -66.48  2.91
1885     -66.49  2.44
1886     -66.50  2.33
1887     -66.51  3.21
1888     -66.53  2.18
1889     -66.53  2.18
1890     -66.54  2.33
1891     -66.56  3.20
1892     -66.58  2.67
1893     -66.59  2.42
1894     -66.60  2.91
1895     -66.64  2.78
1896     -66.65  2.32
1897     -66.66  2.17
1898     -66.69  2.17
1899     -66.70  2.66
1900     -66.71  3.21
1901     -66.75  2.31
1902     -66.77  2.16
1903     -66.78  2.66
1904     -66.80  2.77
1905     -66.81  2.62
1906     -66.82  2.85
1907     -66.88  2.40
1908     -66.89  2.42
1909     -66.89  2.65
1910     -66.91  2.80
1911     -66.93  2.31
1912     -66.95  2.66
1913     -66.96  2.15
1914     -67.00  2.40
1915     -67.00  2.14
1916     -67.01  2.39
1917     -67.04  2.76
1918     -67.07  2.14
1919     -67.08  2.30
1920     -67.09  2.75
1921     -67.11  2.14
1922     -67.13  2.40
1923     -67.14  2.30
1924     -67.15  2.13
1925     -67.15  2.29
1926     -67.16  3.37
1927     -67.18  2.38
1928     -67.20  3.35
1929     -67.24  3.91
1930     -67.25  2.43
1931     -67.29  2.39
1932     -67.29  2.29
1933     -67.31  3.22
1934     -67.32  3.39
1935     -67.32  2.38
1936     -67.33  2.69
1937     -67.35  2.82
1938     -67.35  2.73
1939     -67.39  2.63
1940     -67.40  2.93
1941     -67.43  2.38
1942     -67.45  2.87
1943     -67.46  2.62
1944     -67.49  2.11
1945     -67.50  3.17
1946     -67.50  2.28
1947     -67.50  3.29
1948     -67.52  2.64
1949     -67.52  2.58
1950     -67.56  2.42
1951     -67.57  2.36
1952     -67.57  2.91
1953     -67.61  2.71
1954     -67.61  2.68
1955     -67.61  2.36
1956     -67.62  3.15
1957     -67.63  2.27
1958     -67.63  3.15
1959     -67.64  2.80
1960     -67.65  2.10
1961     -67.65  2.71
1962     -67.70  2.63
1963     -67.71  3.22
1964     -67.72  2.10
1965     -67.75  2.72
1966     -67.76  3.78
1967     -67.83  3.34
1968     -67.86  2.36
1969     -67.86  2.26
1970     -67.92  2.89
1971     -67.95  2.60
1972     -67.96  3.39
1973     -68.00  2.55
1974     -68.01  2.61
1975     -68.07  2.39
1976     -68.08  2.88
1977     -68.09  2.07
1978     -68.11  2.61
1979     -68.12  2.39
1980     -68.12  2.39
1981     -68.13  2.07
1982     -68.16  2.34
1983     -68.19  2.33
1984     -68.20  2.65
1985     -68.21  2.32
1986     -68.24  2.58
1987     -68.25  2.82
1988     -68.26  2.06
1989     -68.28  2.65
1990     -68.28  2.65
1991     -68.30  2.06
1992     -68.31  2.95
1993     -68.32  2.38
1994     -68.32  2.68
1995     -68.34  2.67
1996     -68.35  2.32
1997     -68.36  2.64
1998     -68.38  2.58
1999     -68.41  2.75
2000     -68.42  2.05
2001     -68.42  2.57
2002     -68.48  2.37
2003     -68.49  2.67
2004     -68.49  2.59
2005     -68.54  2.81
2006     -68.55  2.59
2007     -68.57  2.04
2008     -68.64  3.15
2009     -68.67  2.03
2010     -68.69  2.69
2011     -68.70  2.35
2012     -68.72  2.63
2013     -68.74  2.64
2014     -68.76  2.02
2015     -68.82  3.22
2016     -68.85  2.63
2017     -68.86  2.68
2018     -68.88  2.57
2019     -68.88  2.28
2020     -68.89  2.28
2021     -68.93  2.34
2022     -69.03  2.66
2023     -69.07  2.33
2024     -69.07  2.56
2025     -69.09  2.33
2026     -69.11  2.70
2027     -69.17  2.53
2028     -69.19  3.32
2029     -69.22  3.08
2030     -69.23  2.61
2031     -69.24  2.60
2032     -69.25  2.27
2033     -69.32  2.82
2034     -69.37  3.27
2035     -69.38  2.48
2036     -69.40  2.55
2037     -69.40  3.06
2038     -69.41  2.77
2039     -69.43  2.64
2040     -69.44  2.81
2041     -69.47  1.98
2042     -69.47  2.59
2043     -69.48  2.61
2044     -69.48  2.25
2045     -69.49  2.59
2046     -69.51  2.76
2047     -69.52  2.48
2048     -69.52  2.25
2049     -69.53  2.54
2050     -69.55  3.66
2051     -69.55  2.54
2052     -69.56  2.80
2053     -69.58  2.59
2054     -69.60  1.97
2055     -69.63  1.96
2056     -69.64  2.62
2057     -69.64  2.24
2058     -69.67  2.62
2059     -69.73  3.07
2060     -69.73  2.62
2061     -69.75  2.30
2062     -69.75  2.79
2063     -69.77  3.06
2064     -69.77  2.82
2065     -69.78  2.87
2066     -69.79  1.95
2067     -69.80  2.29
2068     -69.80  2.57
2069     -69.80  2.29
2070     -69.80  2.46
2071     -69.81  2.75
2072     -69.81  2.29
2073     -69.81  2.23
2074     -69.86  2.81
2075     -69.90  2.46
2076     -69.90  3.06
2077     -69.91  2.45
2078     -69.95  2.64
2079     -69.95  2.29
2080     -69.95  1.94
2081     -69.97  2.59
2082     -69.97  2.22
2083     -69.98  2.59
2084     -70.01  3.08
2085     -70.02  1.94
2086     -70.04  2.56
2087     -70.06  2.63
2088     -70.07  2.73
2089     -70.08  3.04
2090     -70.08  2.63
2091     -70.11  2.51
2092     -70.11  2.85
2093     -70.14  3.05
2094     -70.14  2.51
2095     -70.15  2.85
2096     -70.16  2.59
2097     -70.17  2.57
2098     -70.18  2.85
2099     -70.20  2.62
2100     -70.20  2.44
2101     -70.23  2.62
2102     -70.25  3.02
2103     -70.27  2.51
2104     -70.27  2.20
2105     -70.29  2.72
2106     -70.30  3.23
2107     -70.30  2.76
2108     -70.32  3.04
2109     -70.32  2.20
2110     -70.34  2.20
2111     -70.34  2.20
2112     -70.35  2.20
2113     -70.39  2.54
2114     -70.40  2.43
2115     -70.40  2.19
2116     -70.40  2.26
2117     -70.44  3.03
2118     -70.49  2.54
2119     -70.55  3.01
2120     -70.60  2.42
2121     -70.62  2.18
2122     -70.62  2.25
2123     -70.65  2.18
2124     -70.70  2.53
2125     -70.71  2.17
2126     -70.71  2.17
2127     -70.72  2.17
2128     -70.73  3.01
2129     -70.75  2.17
2130     -70.75  2.17
2131     -70.76  2.17
2132     -70.78  2.52
2133     -70.80  2.76
2134     -70.81  2.17
2135     -70.81  2.24
2136     -70.86  2.76
2137     -70.88  2.48
2138     -70.89  2.54
2139     -70.89  2.23
2140     -70.90  2.16
2141     -70.92  2.16
2142     -70.92  3.24
2143     -70.95  3.00
2144     -70.98  2.16
2145     -71.00  3.06
2146     -71.00  2.53
2147     -71.02  2.15
2148     -71.02  2.98
2149     -71.05  2.23
2150     -71.08  2.44
2151     -71.10  2.68
2152     -71.10  2.39
2153     -71.12  2.15
2154     -71.13  2.56
2155     -71.13  2.39
2156     -71.13  2.75
2157     -71.14  2.56
2158     -71.16  2.15
2159     -71.18  2.72
2160     -71.18  2.98
2161     -71.19  2.43
2162     -71.20  3.40
2163     -71.21  3.15
2164     -71.21  2.55
2165     -71.26  2.38
2166     -71.26  2.46
2167     -71.28  2.14
2168     -71.28  2.43
2169     -71.30  2.51
2170     -71.30  2.50
2171     -71.31  2.14
2172     -71.32  2.14
2173     -71.34  2.46
2174     -71.35  2.99
2175     -71.39  2.45
2176     -71.40  3.04
2177     -71.40  2.45
2178     -71.41  2.13
2179     -71.47  2.54
2180     -71.49  2.54
2181     -71.50  2.50
2182     -71.50  2.12
2183     -71.50  2.53
2184     -71.51  2.49
2185     -71.51  2.12
2186     -71.57  2.66
2187     -71.61  2.12
2188     -71.66  2.97
2189     -71.67  2.12
2190     -71.68  2.44
2191     -71.69  2.11
2192     -71.71  2.40
2193     -71.73  3.02
2194     -71.74  2.40
2195     -71.74  2.52
2196     -71.74  2.65
2197     -71.74  2.95
2198     -71.76  2.11
2199     -71.76  3.02
2200     -71.76  2.11
2201     -71.79  3.02
2202     -71.79  2.36
2203     -71.80  2.11
2204     -71.82  2.51
2205     -71.82  2.95
2206     -71.83  2.10
2207     -71.83  2.71
2208     -71.84  2.48
2209     -71.85  2.99
2210     -71.86  2.48
2211     -71.88  2.10
2212     -71.89  3.01
2213     -71.90  2.39
2214     -71.96  2.94
2215     -71.96  2.39
2216     -71.98  2.35
2217     -72.07  2.46
2218     -72.07  2.50
2219     -72.08  2.09
2220     -72.10  2.42
2221     -72.11  2.95
2222     -72.13  2.46
2223     -72.17  2.34
2224     -72.18  2.08
2225     -72.20  2.93
2226     -72.22  2.62
2227     -72.22  2.41
2228     -72.23  2.93
2229     -72.25  3.10
2230     -72.29  2.69
2231     -72.30  2.62
2232     -72.31  2.93
2233     -72.33  2.07
2234     -72.35  2.99
2235     -72.36  3.09
2236     -72.37  3.10
2237     -72.42  2.74
2238     -72.42  2.07
2239     -72.46  3.13
2240     -72.46  2.06
2241     -72.52  3.09
2242     -72.55  2.46
2243     -72.55  2.46
2244     -72.60  2.98
2245     -72.63  2.31
2246     -72.65  3.03
2247     -72.70  2.31
2248     -72.72  2.64
2249     -72.73  3.15
2250     -72.79  2.43
2251     -72.80  2.94
2252     -72.81  2.30
2253     -72.82  2.39
2254     -72.82  2.30
2255     -72.83  2.44
2256     -72.84  3.79
2257     -72.85  2.59
2258     -72.86  2.42
2259     -72.87  2.44
2260     -72.88  4.02
2261     -72.90  2.89
2262     -72.92  2.41
2263     -72.94  2.91
2264     -72.96  2.93
2265     -72.96  2.90
2266     -72.99  3.01
2267     -73.06  2.41
2268     -73.10  2.41
2269     -73.13  2.37
2270     -73.14  2.70
2271     -73.18  2.28
2272     -73.18  2.37
2273     -73.19  2.37
2274     -73.20  2.40
2275     -73.21  2.40
2276     -73.21  2.89
2277     -73.25  2.88
2278     -73.30  2.88
2279     -73.34  2.69
2280     -73.35  2.91
2281     -73.36  2.39
2282     -73.45  2.40
2283     -73.46  2.39
2284     -73.46  2.27
2285     -73.52  2.87
2286     -73.55  2.90
2287     -73.55  2.35
2288     -73.59  2.90
2289     -73.61  2.35
2290     -73.62  2.86
2291     -73.62  3.08
2292     -73.63  2.87
2293     -73.66  2.86
2294     -73.71  2.38
2295     -73.75  2.67
2296     -73.78  2.85
2297     -73.79  2.36
2298     -73.81  2.97
2299     -73.87  3.06
2300     -73.87  2.37
2301     -73.89  2.25
2302     -73.90  2.36
2303     -73.90  2.25
2304     -73.90  2.36
2305     -73.90  2.57
2306     -73.94  2.37
2307     -73.95  2.37
2308     -73.96  2.33
2309     -73.98  2.33
2310     -73.98  2.85
2311     -74.02  2.36
2312     -74.05  2.36
2313     -74.09  2.36
2314     -74.09  2.33
2315     -74.10  2.60
2316     -74.10  2.34
2317     -74.11  2.36
2318     -74.11  2.34
2319     -74.14  2.83
2320     -74.14  2.87
2321     -74.14  3.20
2322     -74.15  3.01
2323     -74.21  2.95
2324     -74.25  3.08
2325     -74.28  2.32
2326     -74.30  2.59
2327     -74.31  2.89
2328     -74.32  2.55
2329     -74.32  2.32
2330     -74.33  3.00
2331     -74.34  3.31
2332     -74.34  2.34
2333     -74.34  3.05
2334     -74.36  2.33
2335     -74.44  3.03
2336     -74.46  2.31
2337     -74.49  2.83
2338     -74.49  2.32
2339     -74.51  2.93
2340     -74.59  2.33
2341     -74.61  2.62
2342     -74.67  2.62
2343     -74.72  2.80
2344     -74.72  2.97
2345     -74.75  2.98
2346     -74.76  2.31
2347     -74.78  2.53
2348     -74.78  2.29
2349     -74.79  2.30
2350     -74.80  3.00
2351     -74.81  2.80
2352     -74.84  3.01
2353     -74.86  2.80
2354     -74.86  2.31
2355     -74.88  2.30
2356     -74.88  2.30
2357     -74.95  2.80
2358     -74.95  2.30
2359     -74.98  2.83
2360     -75.00  2.32
2361     -75.05  2.29
2362     -75.05  2.51
2363     -75.05  2.56
2364     -75.06  3.00
2365     -75.06  2.48
2366     -75.08  2.29
2367     -75.11  3.46
2368     -75.11  2.79
2369     -75.14  2.29
2370     -75.15  2.79
2371     -75.15  2.96
2372     -75.16  3.01
2373     -75.16  2.28
2374     -75.18  2.55
2375     -75.20  2.31
2376     -75.21  2.47
2377     -75.22  2.78
2378     -75.22  2.79
2379     -75.27  2.78
2380     -75.28  2.59
2381     -75.30  2.28
2382     -75.31  2.28
2383     -75.31  2.27
2384     -75.32  2.59
2385     -75.32  2.81
2386     -75.35  2.30
2387     -75.36  2.49
2388     -75.36  2.78
2389     -75.38  2.30
2390     -75.38  2.30
2391     -75.38  3.52
2392     -75.39  2.30
2393     -75.45  2.27
2394     -75.49  2.77
2395     -75.51  2.53
2396     -75.56  2.26
2397     -75.57  2.80
2398     -75.59  2.29
2399     -75.62  2.48
2400     -75.63  2.25
2401     -75.63  2.87
2402     -75.68  2.75
2403     -75.71  2.77
2404     -75.72  2.87
2405     -75.74  2.25
2406     -75.76  2.28
2407     -75.76  2.75
2408     -75.77  2.87
2409     -75.80  2.92
2410     -75.81  2.25
2411     -75.82  2.28
2412     -75.82  2.24
2413     -75.89  2.74
2414     -75.93  2.91
2415     -75.95  2.27
2416     -75.99  2.23
2417     -76.02  2.27
2418     -76.09  2.22
2419     -76.10  2.80
2420     -76.12  2.55
2421     -76.13  2.98
2422     -76.15  2.23
2423     -76.20  2.95
2424     -76.22  2.22
2425     -76.24  2.21
2426     -76.25  2.84
2427     -76.28  2.22
2428     -76.33  2.73
2429     -76.37  2.73
2430     -76.37  2.72
2431     -76.37  2.72
2432     -76.42  2.22
2433     -76.45  2.53
2434     -76.48  2.21
2435     -76.49  2.88
2436     -76.50  2.53
2437     -76.51  2.19
2438     -76.52  2.71
2439     -76.52  3.20
2440     -76.54  2.72
2441     -76.54  3.41
2442     -76.61  2.20
2443     -76.62  2.52
2444     -76.63  2.88
2445     -76.64  2.52
2446     -76.67  2.20
2447     -76.67  3.57
2448     -76.69  2.19
2449     -76.71  2.18
2450     -76.71  2.90
2451     -76.74  2.42
2452     -76.78  2.18
2453     -76.79  2.82
2454     -76.79  2.90
2455     -76.87  2.51
2456     -76.89  2.87
2457     -76.91  2.87
2458     -76.92  2.18
2459     -76.94  2.41
2460     -76.98  2.16
2461     -76.99  2.92
2462     -77.00  2.69
2463     -77.03  2.70
2464     -77.13  2.75
2465     -77.13  2.69
2466     -77.14  2.75
2467     -77.16  3.17
2468     -77.20  2.18
2469     -77.20  2.85
2470     -77.21  3.16
2471     -77.28  2.16
2472     -77.29  2.18
2473     -77.29  2.16
2474     -77.30  2.39
2475     -77.31  2.17
2476     -77.36  3.42
2477     -77.41  2.67
2478     -77.48  2.17
2479     -77.48  2.68
2480     -77.49  2.48
2481     -77.50  2.68
2482     -77.53  2.67
2483     -77.53  3.40
2484     -77.53  2.47
2485     -77.54  2.14
2486     -77.55  2.14
2487     -77.63  2.37
2488     -77.65  2.67
2489     -77.65  3.52
2490     -77.71  2.13
2491     -77.74  2.90
2492     -77.80  2.85
2493     -77.80  2.66
2494     -77.82  2.72
2495     -77.84  2.88
2496     -77.89  2.87
2497     -77.93  2.36
2498     -77.93  2.12
2499     -77.94  2.87
2500     -77.97  2.36
2501     -78.00  2.81
2502     -78.01  2.65
2503     -78.02  2.65
2504     -78.03  2.84
2505     -78.06  2.70
2506     -78.08  3.38
2507     -78.15  2.81
2508     -78.16  2.63
2509     -78.19  2.93
2510     -78.20  2.64
2511     -78.28  2.66
2512     -78.31  2.82
2513     -78.35  2.62
2514     -78.37  2.85
2515     -78.39  2.65
2516     -78.40  2.79
2517     -78.41  2.85
2518     -78.43  2.79
2519     -78.45  2.79
2520     -78.47  2.68
2521     -78.49  2.43
2522     -78.50  2.79
2523     -78.50  2.73
2524     -78.50  2.61
2525     -78.50  2.62
2526     -78.54  2.62
2527     -78.55  3.10
2528     -78.61  2.86
2529     -78.62  2.42
2530     -78.63  2.90
2531     -78.66  2.61
2532     -78.66  2.61
2533     -78.69  2.42
2534     -78.73  2.72
2535     -78.73  2.62
2536     -78.76  2.80
2537     -78.77  2.85
2538     -78.89  2.41
2539     -78.91  2.82
2540     -78.92  2.79
2541     -78.95  2.40
2542     -78.97  2.62
2543     -78.98  2.70
2544     -78.99  2.82
2545     -79.00  2.59
2546     -79.01  2.59
2547     -79.01  2.60
2548     -79.03  2.62
2549     -79.06  3.44
2550     -79.12  2.65
2551     -79.16  2.61
2552     -79.18  2.58
2553     -79.19  2.61
2554     -79.19  2.81
2555     -79.21  2.59
2556     -79.21  2.58
2557     -79.22  3.28
2558     -79.22  2.59
2559     -79.24  3.71
2560     -79.24  2.64
2561     -79.27  2.64
2562     -79.28  2.75
2563     -79.28  2.29
2564     -79.34  2.64
2565     -79.36  2.80
2566     -79.37  2.64
2567     -79.40  2.60
2568     -79.42  2.38
2569     -79.46  2.57
2570     -79.54  2.27
2571     -79.64  2.73
2572     -79.64  2.76
2573     -79.69  2.57
2574     -79.70  2.56
2575     -79.75  2.67
2576     -79.77  2.58
2577     -79.77  2.36
2578     -79.80  2.72
2579     -79.84  2.56
2580     -79.88  2.55
2581     -79.89  2.74
2582     -79.93  2.35
2583     -79.94  2.35
2584     -79.95  2.55
2585     -79.95  2.77
2586     -79.98  2.54
2587     -79.99  2.55
2588     -80.00  2.65
2589     -80.01  3.28
2590     -80.01  2.71
2591     -80.07  3.24
2592     -80.12  2.54
2593     -80.12  2.76
2594     -80.13  2.78
2595     -80.14  2.76
2596     -80.14  2.76
2597     -80.16  2.76
2598     -80.16  2.76
2599     -80.17  2.76
2600     -80.19  2.78
2601     -80.22  2.70
2602     -80.23  2.53
2603     -80.29  2.53
2604     -80.29  3.26
2605     -80.35  2.69
2606     -80.38  2.52
2607     -80.39  2.33
2608     -80.41  2.69
2609     -80.44  2.33
2610     -80.45  2.22
2611     -80.47  2.75
2612     -80.48  2.74
2613     -80.48  2.74
2614     -80.52  2.74
2615     -80.53  2.63
2616     -80.54  3.26
2617     -80.56  2.62
2618     -80.57  2.51
2619     -80.58  2.74
2620     -80.60  2.58
2621     -80.63  2.53
2622     -80.63  2.76
2623     -80.63  2.32
2624     -80.65  2.51
2625     -80.71  2.51
2626     -80.74  2.67
2627     -80.74  2.51
2628     -80.75  2.67
2629     -80.83  2.67
2630     -80.86  2.50
2631     -80.89  2.30
2632     -80.91  2.50
2633     -80.93  2.30
2634     -80.93  2.72
2635     -80.94  2.60
2636     -80.96  2.20
2637     -81.00  2.30
2638     -81.01  2.72
2639     -81.03  2.19
2640     -81.06  3.10
2641     -81.07  2.29
2642     -81.08  2.55
2643     -81.13  3.24
2644     -81.13  2.49
2645     -81.16  2.71
2646     -81.17  2.50
2647     -81.20  2.48
2648     -81.21  2.48
2649     -81.23  2.29
2650     -81.24  2.54
2651     -81.25  2.49
2652     -81.33  2.54
2653     -81.34  2.49
2654     -81.37  2.58
2655     -81.38  2.47
2656     -81.39  2.28
2657     -81.39  2.64
2658     -81.39  2.70
2659     -81.40  2.28
2660     -81.42  2.47
2661     -81.44  2.64
2662     -81.47  2.53
2663     -81.48  3.21
2664     -81.50  2.69
2665     -81.53  2.57
2666     -81.59  2.46
2667     -81.63  2.69
2668     -81.63  2.48
2669     -81.64  2.70
2670     -81.64  2.71
2671     -81.65  2.16
2672     -81.67  2.48
2673     -81.71  2.48
2674     -81.76  3.07
2675     -81.79  2.62
2676     -81.80  2.56
2677     -81.80  2.65
2678     -81.90  2.47
2679     -81.90  2.68
2680     -81.91  2.69
2681     -81.92  2.68
2682     -81.97  2.68
2683     -82.00  2.25
2684     -82.02  2.14
2685     -82.04  2.67
2686     -82.04  2.67
2687     -82.05  2.61
2688     -82.05  2.46
2689     -82.07  3.57
2690     -82.10  2.69
2691     -82.17  2.60
2692     -82.17  3.89
2693     -82.19  3.05
2694     -82.19  2.44
2695     -82.20  2.68
2696     -82.21  2.91
2697     -82.22  2.68
2698     -82.22  2.44
2699     -82.33  3.13
2700     -82.34  2.66
2701     -82.34  2.12
2702     -82.37  2.12
2703     -82.38  2.67
2704     -82.40  2.23
2705     -82.40  2.44
2706     -82.42  2.49
2707     -82.43  2.59
2708     -82.48  2.22
2709     -82.51  2.65
2710     -82.52  2.90
2711     -82.53  2.90
2712     -82.53  2.43
2713     -82.55  2.67
2714     -82.55  2.41
2715     -82.57  2.65
2716     -82.63  2.66
2717     -82.65  2.64
2718     -82.66  2.52
2719     -82.69  2.10
2720     -82.70  2.21
2721     -82.72  2.64
2722     -82.76  2.57
2723     -82.79  2.40
2724     -82.84  2.42
2725     -82.88  2.20
2726     -82.89  2.46
2727     -82.92  2.65
2728     -82.94  3.03
2729     -82.94  2.39
2730     -82.95  2.46
2731     -82.96  2.39
2732     -82.98  2.41
2733     -82.98  2.40
2734     -82.99  2.40
2735     -83.02  2.40
2736     -83.03  2.62
2737     -83.06  2.45
2738     -83.11  2.62
2739     -83.12  2.62
2740     -83.12  2.08
2741     -83.19  2.63
2742     -83.19  2.39
2743     -83.19  2.45
2744     -83.20  2.62
2745     -83.20  2.40
2746     -83.20  2.62
2747     -83.20  2.08
2748     -83.23  3.04
2749     -83.24  2.58
2750     -83.24  2.62
2751     -83.26  2.44
2752     -83.27  2.07
2753     -83.30  2.07
2754     -83.31  2.40
2755     -83.31  2.54
2756     -83.32  3.51
2757     -83.35  2.39
2758     -83.39  2.62
2759     -83.43  2.61
2760     -83.44  2.38
2761     -83.49  2.37
2762     -83.56  2.62
2763     -83.57  3.10
2764     -83.57  3.26
2765     -83.58  2.56
2766     -83.58  2.59
2767     -83.59  2.53
2768     -83.60  2.36
2769     -83.61  2.38
2770     -83.63  2.60
2771     -83.64  2.37
2772     -83.69  2.57
2773     -83.74  3.06
2774     -83.77  3.01
2775     -83.80  2.99
2776     -83.81  2.52
2777     -83.81  2.42
2778     -83.81  2.35
2779     -83.82  2.52
2780     -83.84  2.56
2781     -83.84  2.37
2782     -83.87  3.05
2783     -83.89  2.51
2784     -83.91  2.45
2785     -83.92  2.54
2786     -83.92  3.00
2787     -83.95  2.36
2788     -83.99  2.51
2789     -84.00  2.36
2790     -84.03  2.36
2791     -84.05  2.58
2792     -84.06  2.40
2793     -84.11  2.50
2794     -84.13  2.95
2795     -84.15  2.97
2796     -84.15  2.02
2797     -84.18  2.54
2798     -84.18  2.54
2799     -84.18  2.50
2800     -84.19  2.40
2801     -84.20  2.40
2802     -84.21  2.57
2803     -84.22  2.50
2804     -84.24  3.03
2805     -84.25  2.35
2806     -84.29  2.97
2807     -84.29  2.53
2808     -84.29  2.56
2809     -84.30  2.97
2810     -84.30  2.56
2811     -84.32  2.52
2812     -84.32  3.07
2813     -84.34  2.56
2814     -84.35  2.49
2815     -84.35  2.94
2816     -84.36  2.01
2817     -84.38  2.56
2818     -84.39  2.01
2819     -84.40  2.43
2820     -84.40  2.01
2821     -84.41  2.39
2822     -84.43  2.80
2823     -84.44  2.34
2824     -84.44  2.94
2825     -84.46  2.32
2826     -84.47  2.57
2827     -84.47  2.01
2828     -84.48  2.56
2829     -84.48  2.96
2830     -84.50  2.55
2831     -84.51  2.57
2832     -84.53  2.56
2833     -84.53  2.51
2834     -84.55  2.32
2835     -84.56  3.02
2836     -84.58  2.38
2837     -84.60  2.55
2838     -84.60  2.38
2839     -84.62  2.51
2840     -84.62  3.05
2841     -84.62  2.95
2842     -84.63  2.42
2843     -84.63  2.31
2844     -84.65  2.56
2845     -84.67  2.00
2846     -84.67  2.79
2847     -84.74  2.41
2848     -84.75  2.54
2849     -84.81  2.30
2850     -84.87  2.49
2851     -84.88  2.54
2852     -84.93  2.78
2853     -84.95  2.48
2854     -84.96  2.40
2855     -84.99  3.14
2856     -85.05  2.77
2857     -85.05  3.18
2858     -85.09  2.30
2859     -85.12  2.54
2860     -85.16  2.29
2861     -85.16  2.52
2862     -85.17  2.39
2863     -85.19  2.51
2864     -85.19  2.31
2865     -85.21  2.28
2866     -85.21  2.52
2867     -85.22  2.35
2868     -85.25  2.30
2869     -85.26  2.34
2870     -85.26  2.48
2871     -85.29  2.52
2872     -85.30  2.44
2873     -85.33  2.47
2874     -85.36  2.75
2875     -85.38  2.34
2876     -85.39  3.03
2877     -85.42  2.51
2878     -85.42  3.41
2879     -85.44  2.29
2880     -85.45  2.43
2881     -85.46  2.29
2882     -85.47  2.47
2883     -85.49  2.47
2884     -85.51  2.27
2885     -85.53  2.29
2886     -85.55  2.43
2887     -85.56  3.16
2888     -85.60  2.44
2889     -85.60  2.49
2890     -85.66  2.44
2891     -85.68  2.36
2892     -85.71  2.49
2893     -85.75  2.28
2894     -85.77  3.01
2895     -85.78  2.49
2896     -85.80  2.51
2897     -85.81  2.49
2898     -85.82  3.01
2899     -85.83  2.45
2900     -85.85  2.49
2901     -85.86  2.50
2902     -85.87  2.42
2903     -85.89  2.45
2904     -85.90  2.25
2905     -85.92  2.42
2906     -85.94  2.31
2907     -85.95  2.41
2908     -85.95  2.47
2909     -85.96  2.25
2910     -85.99  2.48
2911     -86.00  2.26
2912     -86.02  3.00
2913     -86.03  3.00
2914     -86.04  2.89
2915     -86.05  2.48
2916     -86.06  2.95
2917     -86.06  2.95
2918     -86.13  2.30
2919     -86.14  2.49
2920     -86.17  2.40
2921     -86.25  2.26
2922     -86.25  2.43
2923     -86.25  2.71
2924     -86.26  2.29
2925     -86.36  2.47
2926     -86.37  2.25
2927     -86.38  2.25
2928     -86.39  2.48
2929     -86.40  2.25
2930     -86.40  2.29
2931     -86.43  2.47
2932     -86.47  3.90
2933     -86.51  2.24
2934     -86.52  2.24
2935     -86.52  2.70
2936     -86.55  2.22
2937     -86.58  2.28
2938     -86.59  2.38
2939     -86.60  2.23
2940     -86.61  2.69
2941     -86.62  2.28
2942     -86.65  2.69
2943     -86.65  2.37
2944     -86.65  2.21
2945     -86.66  2.24
2946     -86.66  2.24
2947     -86.70  2.21
2948     -86.71  2.27
2949     -86.71  2.27
2950     -86.73  2.45
2951     -86.74  2.40
2952     -86.76  2.86
2953     -86.76  2.45
2954     -86.77  2.45
2955     -86.82  2.44
2956     -86.84  2.45
2957     -86.87  2.40
2958     -86.87  3.05
2959     -86.88  2.22
2960     -86.88  2.43
2961     -86.90  3.09
2962     -86.90  2.68
2963     -86.94  2.43
2964     -86.98  2.45
2965     -86.98  2.81
2966     -86.98  2.20
2967     -86.99  2.42
2968     -87.00  2.45
2969     -87.02  2.39
2970     -87.02  2.90
2971     -87.03  3.33
2972     -87.04  3.04
2973     -87.05  2.44
2974     -87.07  2.95
2975     -87.11  2.25
2976     -87.15  2.38
2977     -87.16  2.25
2978     -87.16  2.44
2979     -87.23  2.34
2980     -87.24  2.83
2981     -87.25  2.66
2982     -87.27  2.34
2983     -87.27  2.94
2984     -87.32  2.18
2985     -87.34  3.02
2986     -87.44  2.65
2987     -87.45  2.37
2988     -87.48  2.41
2989     -87.51  2.42
2990     -87.52  2.37
2991     -87.54  2.79
2992     -87.54  2.41
2993     -87.55  2.33
2994     -87.55  2.42
2995     -87.55  2.42
2996     -87.57  2.33
2997     -87.59  2.17
2998     -87.62  2.16
2999     -87.64  2.41
3000     -87.68  2.90
3001     -87.71  2.40
3002     -87.76  2.32
3003     -87.76  2.40
3004     -87.77  2.32
3005     -87.81  2.80
3006     -87.86  2.40
3007     -87.88  2.15
3008     -87.89  2.31
3009     -87.91  2.40
3010     -87.96  2.62
3011     -87.98  2.28
3012     -87.99  2.31
3013     -88.00  3.52
3014     -88.00  2.79
3015     -88.02  2.39
3016     -88.05  2.14
3017     -88.10  2.39
3018     -88.10  2.79
3019     -88.10  2.34
3020     -88.17  2.84
3021     -88.20  2.27
3022     -88.21  3.27
3023     -88.23  3.03
3024     -88.27  2.38
3025     -88.27  2.38
3026     -88.30  2.38
3027     -88.34  3.27
3028     -88.34  2.77
3029     -88.34  2.78
3030     -88.35  2.60
3031     -88.40  2.28
3032     -88.50  2.77
3033     -88.52  2.35
3034     -88.52  2.36
3035     -88.53  2.25
3036     -88.56  2.59
3037     -88.58  2.34
3038     -88.59  2.28
3039     -88.61  2.59
3040     -88.61  2.96
3041     -88.65  2.73
3042     -88.67  2.36
3043     -88.69  2.87
3044     -88.73  2.36
3045     -88.77  2.58
3046     -88.78  2.35
3047     -88.82  2.87
3048     -88.83  3.00
3049     -88.87  2.58
3050     -88.88  2.10
3051     -88.90  2.86
3052     -88.92  2.35
3053     -88.93  2.10
3054     -88.96  2.33
3055     -88.96  2.86
3056     -88.99  2.29
3057     -89.00  2.57
3058     -89.05  2.21
3059     -89.05  2.09
3060     -89.10  2.74
3061     -89.11  2.34
3062     -89.11  2.09
3063     -89.12  2.32
3064     -89.14  2.85
3065     -89.14  2.85
3066     -89.15  2.32
3067     -89.25  2.28
3068     -89.29  2.33
3069     -89.37  2.72
3070     -89.37  2.78
3071     -89.39  2.84
3072     -89.40  2.08
3073     -89.43  2.55
3074     -89.44  2.30
3075     -89.46  2.71
3076     -89.46  2.23
3077     -89.46  2.32
3078     -89.47  2.83
3079     -89.49  2.71
3080     -89.52  2.27
3081     -89.52  2.71
3082     -89.53  2.71
3083     -89.54  2.32
3084     -89.61  2.32
3085     -89.62  2.83
3086     -89.62  2.29
3087     -89.64  2.31
3088     -89.67  3.44
3089     -89.68  2.68
3090     -89.69  2.26
3091     -89.69  2.31
3092     -89.70  2.77
3093     -89.70  2.82
3094     -89.71  2.95
3095     -89.72  2.22
3096     -89.73  2.31
3097     -89.75  2.31
3098     -89.76  2.82
3099     -89.78  2.06
3100     -89.78  2.53
3101     -89.78  2.80
3102     -89.82  2.06
3103     -89.85  2.69
3104     -89.88  2.76
3105     -89.93  2.05
3106     -89.93  2.30
3107     -89.97  2.52
3108     -89.98  2.24
3109     -90.02  2.24
3110     -90.08  2.24
3111     -90.09  2.68
3112     -90.09  2.29
3113     -90.10  2.14
3114     -90.10  2.04
3115     -90.11  2.93
3116     -90.11  2.80
3117     -90.12  2.14
3118     -90.16  2.23
3119     -90.21  2.19
3120     -90.22  2.23
3121     -90.24  2.51
3122     -90.24  2.13
3123     -90.25  2.19
3124     -90.27  2.74
3125     -90.30  2.51
3126     -90.32  2.67
3127     -90.38  2.28
3128     -90.40  2.18
3129     -90.43  2.64
3130     -90.44  2.73
3131     -90.44  2.03
3132     -90.47  2.27
3133     -90.47  2.02
3134     -90.48  2.22
3135     -90.50  2.27
3136     -90.51  2.64
3137     -90.52  2.02
3138     -90.53  2.11
3139     -90.56  2.27
3140     -90.56  2.27
3141     -90.56  2.27
3142     -90.57  2.11
3143     -90.58  2.21
3144     -90.58  2.78
3145     -90.59  2.02
3146     -90.59  2.27
3147     -90.59  2.91
3148     -90.63  2.26
3149     -90.80  2.63
3150     -90.85  2.65
3151     -90.90  2.20
3152     -90.90  2.84
3153     -90.91  2.89
3154     -90.97  2.47
3155     -90.98  2.64
3156     -90.98  2.25
3157     -90.99  2.00
3158     -91.01  2.00
3159     -91.02  2.25
3160     -91.09  3.13
3161     -91.11  2.24
3162     -91.15  2.24
3163     -91.16  2.75
3164     -91.19  2.70
3165     -91.20  2.24
3166     -91.23  2.88
3167     -91.28  2.75
3168     -91.29  2.62
3169     -91.30  2.06
3170     -91.30  2.06
3171     -91.34  2.62
3172     -91.35  2.74
3173     -91.36  2.60
3174     -91.39  2.23
3175     -91.43  2.17
3176     -91.44  2.23
3177     -91.47  2.61
3178     -91.47  2.61
3179     -91.49  2.17
3180     -91.57  2.04
3181     -91.60  2.04
3182     -91.62  2.68
3183     -91.63  2.22
3184     -91.65  2.71
3185     -91.66  2.22
3186     -91.66  2.22
3187     -91.67  2.16
3188     -91.68  2.22
3189     -91.83  2.60
3190     -91.85  2.58
3191     -91.85  2.72
3192     -91.88  2.57
3193     -91.91  2.43
3194     -91.92  2.15
3195     -91.95  2.79
3196     -91.96  2.21
3197     -91.99  2.69
3198     -91.99  2.57
3199     -92.01  2.69
3200     -92.01  3.09
3201     -92.02  2.42
3202     -92.03  2.20
3203     -92.04  2.42
3204     -92.06  2.57
3205     -92.06  3.09
3206     -92.08  2.56
3207     -92.08  2.14
3208     -92.13  2.19
3209     -92.17  2.56
3210     -92.18  2.19
3211     -92.21  2.58
3212     -92.23  2.19
3213     -92.25  2.57
3214     -92.28  2.70
3215     -92.33  2.13
3216     -92.37  2.40
3217     -92.39  2.18
3218     -92.41  2.12
3219     -92.44  2.12
3220     -92.46  2.69
3221     -92.52  2.66
3222     -92.55  2.54
3223     -92.59  2.11
3224     -92.63  2.11
3225     -92.63  2.55
3226     -92.66  2.17
3227     -92.67  2.39
3228     -92.70  2.75
3229     -92.76  2.11
3230     -92.79  2.38
3231     -92.85  2.67
3232     -92.89  2.16
3233     -92.94  2.79
3234     -92.96  2.64
3235     -92.97  2.52
3236     -93.04  2.66
3237     -93.09  2.37
3238     -93.10  2.66
3239     -93.15  2.53
3240     -93.18  2.73
3241     -93.20  2.14
3242     -93.21  2.51
3243     -93.24  2.36
3244     -93.28  2.52
3245     -93.28  2.51
3246     -93.29  2.51
3247     -93.32  2.52
3248     -93.33  2.35
3249     -93.33  2.35
3250     -93.41  2.72
3251     -93.47  2.59
3252     -93.55  2.13
3253     -93.62  2.70
3254     -93.64  2.58
3255     -93.66  2.58
3256     -93.74  2.33
3257     -93.75  2.63
3258     -93.78  2.63
3259     -93.81  2.70
3260     -93.81  2.49
3261     -93.88  2.62
3262     -93.91  2.59
3263     -93.95  2.49
3264     -93.96  2.49
3265     -93.97  2.59
3266     -94.01  2.56
3267     -94.04  2.99
3268     -94.05  2.32
3269     -94.06  2.47
3270     -94.06  2.68
3271     -94.08  2.61
3272     -94.13  2.68
3273     -94.16  2.46
3274     -94.16  2.61
3275     -94.17  2.73
3276     -94.19  2.60
3277     -94.22  2.60
3278     -94.22  2.46
3279     -94.23  2.55
3280     -94.24  2.46
3281     -94.27  2.31
3282     -94.28  2.46
3283     -94.28  3.23
3284     -94.28  2.60
3285     -94.29  2.47
3286     -94.29  2.55
3287     -94.37  2.72
3288     -94.38  2.54
3289     -94.39  3.29
3290     -94.39  2.47
3291     -94.39  2.54
3292     -94.40  2.59
3293     -94.48  2.47
3294     -94.60  2.59
3295     -94.64  2.45
3296     -94.67  2.71
3297     -94.68  2.58
3298     -94.69  2.96
3299     -94.71  2.45
3300     -94.72  2.71
3301     -94.76  2.43
3302     -94.82  2.70
3303     -94.83  2.64
3304     -94.91  3.27
3305     -94.94  2.95
3306     -94.97  2.51
3307     -94.97  2.42
3308     -94.99  2.42
3309     -95.01  2.43
3310     -95.01  2.54
3311     -95.01  2.63
3312     -95.03  2.56
3313     -95.08  2.42
3314     -95.08  2.43
3315     -95.09  2.54
3316     -95.15  2.42
3317     -95.17  2.43
3318     -95.18  2.56
3319     -95.19  2.43
3320     -95.20  2.93
3321     -95.22  2.68
3322     -95.22  2.43
3323     -95.29  2.43
3324     -95.30  2.68
3325     -95.33  2.50
3326     -95.38  2.40
3327     -95.40  2.55
3328     -95.44  2.49
3329     -95.59  2.40
3330     -95.60  2.91
3331     -95.61  2.39
3332     -95.76  2.53
3333     -95.78  2.65
3334     -95.80  2.53
3335     -95.82  2.65
3336     -95.87  2.59
3337     -95.94  2.47
3338     -95.97  2.46
3339     -96.00  2.49
3340     -96.06  2.46
3341     -96.09  2.89
3342     -96.35  2.37
3343     -96.40  2.36
3344     -96.46  2.50
3345     -96.50  2.62
3346     -96.54  2.35
3347     -96.63  2.46
3348     -96.65  2.36
3349     -96.67  2.35
3350     -96.67  2.46
3351     -96.75  2.55
3352     -96.78  2.35
3353     -96.89  2.60
3354     -96.95  2.33
3355     -96.95  2.33
3356     -96.96  2.45
3357     -96.99  2.85
3358     -97.03  2.47
3359     -97.04  2.53
3360     -97.08  2.34
3361     -97.11  2.53
3362     -97.12  2.53
3363     -97.12  2.32
3364     -97.13  2.59
3365     -97.14  2.34
3366     -97.14  2.32
3367     -97.14  2.53
3368     -97.19  2.32
3369     -97.19  2.58
3370     -97.23  2.58
3371     -97.25  2.32
3372     -97.32  2.83
3373     -97.33  2.31
3374     -97.33  2.31
3375     -97.34  2.31
3376     -97.36  2.45
3377     -97.37  2.45
3378     -97.39  3.08
3379     -97.40  2.32
3380     -97.40  2.31
3381     -97.40  2.45
3382     -97.45  2.32
3383     -97.49  2.30
3384     -97.51  2.82
3385     -97.55  2.30
3386     -97.63  2.41
3387     -97.70  2.29
3388     -97.71  2.29
3389     -97.78  2.40
3390     -97.78  3.12
3391     -97.79  2.29
3392     -97.81  2.81
3393     -97.83  2.30
3394     -97.86  2.42
3395     -97.86  2.40
3396     -97.86  2.43
3397     -97.87  2.28
3398     -97.87  2.28
3399     -97.89  2.55
3400     -97.91  2.43
3401     -97.97  2.48
3402     -98.02  2.42
3403     -98.03  2.39
3404     -98.10  2.42
3405     -98.17  2.39
3406     -98.19  2.28
3407     -98.24  2.38
3408     -98.25  2.53
3409     -98.31  2.40
3410     -98.32  2.47
3411     -98.37  2.27
3412     -98.38  2.27
3413     -98.40  2.27
3414     -98.45  2.37
3415     -98.48  2.37
3416     -98.49  2.25
3417     -98.58  2.52
3418     -98.60  2.25
3419     -98.66  3.02
3420     -98.72  2.24
3421     -98.78  2.24
3422     -98.79  2.39
3423     -98.85  2.50
3424     -98.90  2.35
3425     -98.93  2.23
3426     -98.93  3.01
3427     -98.96  2.43
3428     -99.00  2.23
3429     -99.01  2.50
3430     -99.02  2.23
3431     -99.05  2.43
3432     -99.06  2.49
3433     -99.10  2.37
3434     -99.11  2.22
3435     -99.19  2.36
3436     -99.19  3.06
3437     -99.21  2.74
3438     -99.26  2.36
3439     -99.29  3.05
3440     -99.29  2.35
3441     -99.33  2.21
3442     -99.36  2.48
3443     -99.36  2.21
3444     -99.36  2.21
3445     -99.38  2.21
3446     -99.45  2.35
3447     -99.45  2.20
3448     -99.46  2.73
3449     -99.49  2.47
3450     -99.49  2.47
3451     -99.53  2.72
3452     -99.64  2.34
3453     -99.65  2.19
3454     -99.71  2.33
3455     -99.81  2.96
3456     -99.82  2.34
3457     -99.84  2.18
3458     -99.86  2.33
3459     -99.89  2.33
3460     -99.93  2.38
3461     -99.94  2.18
3462     -99.96  2.38
3463     -99.98  2.18
3464    -100.00  3.02
3465    -100.04  2.32
3466    -100.06  2.44
3467    -100.07  2.17
3468    -100.12  2.32
3469    -100.25  2.69
3470    -100.28  2.31
3471    -100.28  2.31
3472    -100.29  2.16
3473    -100.30  2.16
3474    -100.31  2.31
3475    -100.34  2.68
3476    -100.36  3.23
3477    -100.37  2.16
3478    -100.39  2.43
3479    -100.40  3.00
3480    -100.40  2.43
3481    -100.40  2.15
3482    -100.44  2.36
3483    -100.45  2.15
3484    -100.48  2.68
3485    -100.49  2.99
3486    -100.50  2.30
3487    -100.58  2.67
3488    -100.62  2.42
3489    -100.88  2.29
3490    -101.05  2.12
3491    -101.09  2.12
3492    -101.10  2.33
3493    -101.10  2.32
3494    -101.15  2.64
3495    -101.15  2.32
3496    -101.19  2.26
3497    -101.25  2.27
3498    -101.27  2.64
3499    -101.27  2.64
3500    -101.33  2.38
3501    -101.40  2.63
3502    -101.40  2.63
3503    -101.46  2.63
3504    -101.50  2.10
3505    -101.55  2.37
3506    -101.56  2.37
3507    -101.59  2.62
3508    -101.62  2.25
3509    -101.73  3.16
3510    -101.74  2.61
3511    -101.75  2.61
3512    -101.77  2.61
3513    -101.80  2.23
3514    -101.80  2.61
3515    -101.81  2.23
3516    -101.84  2.29
3517    -101.84  2.08
3518    -101.89  2.08
3519    -102.03  2.35
3520    -102.06  2.28
3521    -102.07  2.28
3522    -102.17  2.59
3523    -102.18  2.21
3524    -102.18  2.22
3525    -102.22  2.59
3526    -102.33  2.59
3527    -102.34  2.26
3528    -102.36  2.58
3529    -102.38  2.58
3530    -102.43  2.33
3531    -102.44  2.21
3532    -102.44  2.21
3533    -102.59  2.20
3534    -102.61  2.19
3535    -102.62  2.25
3536    -102.64  2.32
3537    -102.64  2.19
3538    -102.69  2.31
3539    -102.70  2.24
3540    -102.72  2.24
3541    -102.75  2.31
3542    -102.78  2.56
3543    -102.79  2.18
3544    -102.85  2.56
3545    -102.86  2.56
3546    -102.91  2.23
3547    -102.92  2.19
3548    -103.03  2.23
3549    -103.04  2.87
3550    -103.06  2.17
3551    -103.08  2.17
3552    -103.09  2.29
3553    -103.17  2.17
3554    -103.22  2.22
3555    -103.26  2.80
3556    -103.28  2.54
3557    -103.28  2.54
3558    -103.28  2.28
3559    -103.49  2.27
3560    -103.49  2.16
3561    -103.53  2.53
3562    -103.62  2.14
3563    -103.69  2.15
3564    -103.70  2.19
3565    -103.88  2.51
3566    -103.88  2.13
3567    -104.01  2.50
3568    -104.06  2.76
3569    -104.06  2.50
3570    -104.07  2.76
3571    -104.07  2.12
3572    -104.08  2.17
3573    -104.13  2.17
3574    -104.15  2.13
3575    -104.21  2.12
3576    -104.21  2.13
3577    -104.28  2.49
3578    -104.29  2.12
3579    -104.32  2.16
3580    -104.34  2.49
3581    -104.35  3.03
3582    -104.48  2.11
3583    -104.50  2.74
3584    -104.58  2.79
3585    -104.64  2.10
3586    -104.66  2.47
3587    -104.67  2.10
3588    -104.70  2.10
3589    -104.71  2.47
3590    -104.81  2.10
3591    -104.85  2.09
3592    -104.89  3.01
3593    -104.99  2.77
3594    -105.14  2.76
3595    -105.17  2.71
3596    -105.21  2.45
3597    -105.27  2.99
3598    -105.28  2.44
3599    -105.31  2.70
3600    -105.35  2.99
3601    -105.55  2.98
3602    -105.56  2.06
3603    -105.63  2.74
3604    -105.72  2.05
3605    -105.79  2.42
3606    -105.83  2.05
3607    -105.83  2.42
3608    -105.92  2.72
3609    -105.96  2.72
3610    -105.96  2.67
3611    -105.98  2.41
3612    -106.06  2.04
3613    -106.20  2.71
3614    -106.22  2.71
3615    -106.45  2.70
3616    -106.45  2.70
3617    -106.50  2.38
3618    -106.58  2.38
3619    -106.62  2.64
3620    -106.65  2.38
3621    -106.71  2.68
3622    -106.75  2.37
3623    -106.76  2.92
3624    -106.84  2.37
3625    -106.94  2.36
3626    -107.21  2.90
3627    -107.22  2.61
3628    -107.24  2.35
3629    -107.51  2.33
3630    -107.56  2.64
3631    -107.60  2.64
3632    -107.69  2.59
3633    -107.73  2.32
3634    -107.79  2.59
3635    -107.96  2.31
3636    -108.13  2.30
3637    -108.23  2.61
3638    -108.34  2.29
3639    -108.43  2.29
3640    -108.45  2.29
3641    -108.49  2.60
3642    -108.61  2.28
3643    -108.81  2.58
3644    -108.83  2.54
3645    -108.87  2.27
3646    -108.96  2.81
3647    -109.01  2.26
3648    -109.06  2.53
3649    -109.17  2.25
3650    -109.18  2.52
3651    -109.30  2.25
3652    -109.33  2.79
3653    -109.44  2.55
3654    -109.45  2.55
3655    -109.70  2.50
3656    -109.70  2.23
3657    -109.81  2.22
3658    -110.20  2.47
3659    -110.21  2.20
3660    -110.40  2.50
3661    -110.43  2.74
3662    -110.45  2.46
3663    -110.47  2.46
3664    -110.49  2.74
3665    -110.56  2.49
3666    -110.56  2.19
3667    -110.59  2.49
3668    -110.77  2.18
3669    -110.79  2.72
3670    -110.96  2.48
3671    -111.10  2.71
3672    -111.13  2.47
3673    -111.20  2.46
3674    -111.36  2.46
3675    -111.36  2.15
3676    -111.37  2.15
3677    -111.39  2.45
3678    -111.40  2.14
3679    -111.49  2.45
3680    -111.59  2.14
3681    -111.62  2.40
3682    -111.66  2.68
3683    -111.85  2.12
3684    -112.12  2.11
3685    -112.15  2.11
3686    -112.26  2.37
3687    -112.29  2.41
3688    -112.30  2.37
3689    -112.38  2.65
3690    -112.43  2.64
3691    -112.55  2.64
3692    -112.58  2.64
3693    -112.63  2.36
3694    -112.73  2.35
3695    -112.82  2.35
3696    -112.89  2.62
3697    -112.99  2.34
3698    -113.02  2.34
3699    -113.11  2.61
3700    -113.56  2.31
3701    -113.57  2.59
3702    -113.58  2.59
3703    -113.76  2.30
3704    -113.88  2.57
3705    -114.25  2.55
3706    -114.50  2.54
3707    -114.57  2.54
3708    -114.60  2.26
3709    -114.65  2.54
3710    -114.68  2.26
3711    -114.71  2.26
3712    -114.81  2.25
3713    -114.87  2.25
3714    -114.98  2.24
3715    -115.01  2.52
3716    -115.03  2.52
3717    -115.03  2.52
3718    -115.41  2.50
3719    -115.56  2.22
3720    -115.96  2.47
3721    -116.04  2.19
3722    -116.39  2.18
3723    -116.44  2.18
3724    -116.63  2.44
3725    -116.64  2.17
3726    -116.80  2.43
3727    -116.80  2.16
3728    -116.86  2.43
3729    -116.95  2.15
3730    -117.03  2.15
3731    -117.15  2.41
3732    -117.40  2.40
3733    -117.42  2.40
3734    -117.53  2.40
3735    -117.54  2.12
3736    -118.19  2.36
3737    -118.29  2.36
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 25 mins 13.73 secs (   1513.73 secs)
Finished: Thu Apr 21 18:03:42 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT TRANSLATION FUNCTION               2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-----------------------------
DATA FOR TRANSLATION FUNCTION
-----------------------------

   High Resolution Limit imposed by RF list =  4.73
   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   4.73  34.48 (1777)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (1777)
                               - half number of centrics (0/2)
                             = -1777
   With correction for SigF,
      Wilson log(likelihood) = -1435.9

----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

---------------------
TRANSLATION FUNCTIONS
---------------------

   Target Function: FAST LETF1
   Sampling:  1.18 Angstroms


-----------------------------
TRANSLATION FUNCTION #1 OF 38
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170 RF++ TFZ=19.9 +TNCS PAK=0 LLG=61
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  276.4  107.3  137.7 FRAC -0.24  0.27  0.00 BFAC
    20.36
   SOLU 6DIM ENSE ensemble1 EULER  153.1  106.8  139.7 FRAC  0.02  0.24  0.33 BFAC
    20.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.59
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 271.131 104.058 136.899

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5       9.5  ensemble1
   2     271.1  104.1  136.9      -1.0  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

-----------------------------
TRANSLATION FUNCTION #2 OF 38
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=60
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.5  138.9 FRAC  0.76  1.27 -0.00 BFAC
    21.83
   SOLU 6DIM ENSE ensemble1 EULER   37.8  106.3  137.0 FRAC  0.24  0.99 -0.34 BFAC
    21.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.463  107.226  118.433 RFZ  2.98
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.004 106.912 138.421

   This TF set has 10 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -47.3  ensemble1
   2      99.0   35.2  190.7     -61.2  ensemble1
   3     146.7  145.7    8.4     -59.4  ensemble1
   4     224.5   53.0  166.9     -62.2  ensemble1
   5     271.9   76.8  205.7     -53.9  ensemble1
   6     194.2   78.3  209.1     -59.9  ensemble1
   7     105.5   19.6  155.5     -70.9  ensemble1
   8     308.8   98.1  231.6     -67.0  ensemble1
   9     106.5  107.2  118.4     -70.1  ensemble1
   10    272.0  106.9  138.4    -123.7  ensemble1

      0 trial orientations in initial search
      10 trial orientations in deep search

-----------------------------
TRANSLATION FUNCTION #3 OF 38
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=57
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  276.5  105.6  140.2 FRAC -0.41  0.43 -0.00 BFAC
    22.16
   SOLU 6DIM ENSE ensemble1 EULER   36.3  107.3  137.4 FRAC  0.06  0.66 -0.34 BFAC
    22.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.028 108.310 140.369

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -36.6  ensemble1
   2     273.0  108.3  140.4    -104.0  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

-----------------------------
TRANSLATION FUNCTION #4 OF 38
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.8 +TNCS PAK=0 LLG=53
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  279.2  105.7  138.0 FRAC  0.73  0.58 -0.00 BFAC
    21.42
   SOLU 6DIM ENSE ensemble1 EULER  156.6  105.1  141.3 FRAC  0.36  0.28  0.33 BFAC
    21.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.795 106.998 138.434

   This TF set has 3 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -45.8  ensemble1
   2      99.0   35.2  190.7     -58.0  ensemble1
   3     272.8  107.0  138.4    -120.5  ensemble1

      0 trial orientations in initial search
      3 trial orientations in deep search

-----------------------------
TRANSLATION FUNCTION #5 OF 38
-----------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=19.7 +TNCS PAK=0 LLG=50
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  288.7  107.1  137.2 FRAC  0.60  0.91 -0.00 BFAC
    25.03
   SOLU 6DIM ENSE ensemble1 EULER  273.6  105.8  139.6 FRAC  0.59  1.45 -0.00 BFAC
    25.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.224  168.166  341.260 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.463  107.226  118.433 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.958   92.732   53.422 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.489  110.919  107.760 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.285   42.664  166.959 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.299   43.325  166.862 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.161  154.261  328.399 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.637  135.422  359.951 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.630   51.959  166.797 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.408  103.967   21.508 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.969   89.122   29.010 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.858   50.300  166.658 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.016   51.056  180.457 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.074   89.354  209.181 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.161  154.261  328.399 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.986  161.821  297.081 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   11.207   38.406  186.568 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.008  151.263   23.390 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.446   89.341   28.040 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.899   49.968  166.638 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.489   70.293  285.374 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.224  168.166  341.260 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.934  109.721   15.844 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.302   43.988  166.780 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.617   56.680  320.105 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.966   39.048  167.787 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.276  134.056  344.496 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.530   78.288  209.145 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.137   47.641  166.575 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.606   17.710  157.469 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.921  132.743  344.499 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER    9.765   25.596  151.990 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.313  138.565    1.491 RFZ  2.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.028 108.310 140.369
         #2 288.681 107.124 137.180

   This TF set has 57 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1      43.7   78.4   44.5     -38.8  ensemble1
   2     200.3  130.2  358.6     -64.4  ensemble1
   3      99.0   35.2  190.7     -43.8  ensemble1
   4     240.2   41.3  167.2     -54.4  ensemble1
   5     194.2   78.3  209.1     -58.7  ensemble1
   6      34.1  112.7   28.1     -50.3  ensemble1
   7     271.9   76.8  205.7     -49.0  ensemble1
   8     292.3   78.3  209.1     -55.0  ensemble1
   9     328.2  168.2  341.3     -64.4  ensemble1
   10    106.5  107.2  118.4     -58.0  ensemble1
   11    206.1   65.5  208.5     -66.6  ensemble1
   12    308.8   98.1  231.6     -56.9  ensemble1
   13    105.5   19.6  155.5     -66.8  ensemble1
   14    284.0   92.7   53.4     -71.1  ensemble1
   15     50.6   52.3  166.8     -55.4  ensemble1
   16    190.1   36.1   89.9     -61.1  ensemble1
   ----- angles below here for deep search only -----
   17    146.7  145.7    8.4     -62.7  ensemble1
   18    246.5  110.9  107.8     -64.5  ensemble1
   19    228.3   42.7  167.0     -74.7  ensemble1
   20     42.3   43.3  166.9     -76.4  ensemble1
   21    191.2  154.3  328.4     -75.0  ensemble1
   22     19.6  135.4  360.0     -82.2  ensemble1
   23    143.6   52.0  166.8     -80.0  ensemble1
   24     91.7   68.2  286.4     -61.8  ensemble1
   25    146.4  104.0   21.5     -67.9  ensemble1
   26    155.8   50.6  166.7     -75.6  ensemble1
   27    225.7  100.3   28.7     -62.2  ensemble1
   28     52.0   89.1   29.0     -62.1  ensemble1
   29    248.9   50.3  166.7     -67.5  ensemble1
   30    192.0   51.1  180.5     -81.5  ensemble1
   31    158.6  141.2   29.7     -69.1  ensemble1
   32     38.1   89.4  209.2     -68.1  ensemble1
   33    119.2  154.3  328.4     -84.2  ensemble1
   34    262.0  161.8  297.1     -70.5  ensemble1
   35    317.5   52.6  166.9     -60.3  ensemble1
   36     11.2   38.4  186.6     -54.0  ensemble1
   37     33.0  151.3   23.4     -81.9  ensemble1
   38    175.4   89.3   28.0     -70.8  ensemble1
   39    341.9   50.0  166.6     -74.5  ensemble1
   40    273.5   70.3  285.4     -72.4  ensemble1
   41    208.2  168.2  341.3     -80.1  ensemble1
   42    345.4  136.0  344.6     -73.2  ensemble1
   43    135.3   43.0  166.9     -66.4  ensemble1
   44    306.9  109.7   15.8     -72.5  ensemble1
   45     10.1   76.8  205.7     -65.9  ensemble1
   46    216.3   44.0  166.8     -61.3  ensemble1
   47      0.6   56.7  320.1     -69.1  ensemble1
   48    171.0   39.0  167.8     -77.7  ensemble1
   49    160.3  134.1  344.5     -76.3  ensemble1
   50     30.5   78.3  209.1     -70.0  ensemble1
   51    273.1   47.6  166.6     -68.7  ensemble1
   52    248.6   17.7  157.5     -72.9  ensemble1
   53    276.9  132.7  344.5     -79.1  ensemble1
   54      9.8   25.6  152.0     -82.4  ensemble1
   55    312.3  138.6    1.5     -71.0  ensemble1
   56    273.0  108.3  140.4    -106.0  ensemble1
   57    288.7  107.1  137.2     -90.6  ensemble1

      16 trial orientations in initial search
      41 trial orientations in deep search


   Scoring 513 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #5 of 38
   0%                            100%
   |==============================| DONE

   Mean Score (Sigma):       -340.59   (31.65)

   SET #5 of 38 TRIAL #1 of 16
   ---------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 55.03 (TFZ=4.8) at Trial #1


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 112 sites over 67.5% of top
   112 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.532  0.883  0.859     55.031  4.79
   2      0.953  0.122  0.848     43.147  4.34
   3      0.252  0.362  0.318     38.547  4.16
   #Sites = 112: output truncated to 3 sites

   Top 112 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #1 of 16
   0%                                                        100%
   |=========================================================| DONE


   New Top (ML) Translation Function LLG = -187.21 (TFZ=4.8) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 59 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.096  0.209  0.840    -187.21  3.96   0.0      2     33.186/    33.376
   2      0.105  0.718  0.840    -191.01  4.02  29.0      2     34.896/    34.896
   3      0.582  0.700  0.896    -192.22  3.72  29.1      1     26.913/    26.913
   #SITES = 59: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #2 of 16
   ---------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -187.21 (TFZ=4.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 43 sites over 67.5% of top
   43 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.766  0.449  0.944     40.587  4.81
   2      0.765  0.950  0.942     39.928  4.79
   3      0.736  0.166  0.694     39.546  4.77
   #Sites = 43: output truncated to 3 sites

   Top 43 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #2 of 16
   0%                     100%
   |=======================| DONE


   New Top (ML) Translation Function LLG = -182.55 (TFZ=5.0) at Trial #2

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.736  0.166  0.694    -182.55  4.77   0.0      1     39.546/    39.546
   2      0.711  0.398  0.697    -190.43  4.06  14.4      3     19.854/    38.526
   3      0.735  0.661  0.694    -198.70  4.41  29.1      2     29.492/    29.492
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #3 of 16
   ---------------------------
   Ensemble ensemble1 Euler  99.02  35.21 190.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 59 sites over 67.5% of top
   59 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.852  0.382  0.093     49.668  5.07
   2      0.852  0.380  0.094     42.157  4.79
   3      0.083  0.399  0.946     40.466  4.72
   #Sites = 59: output truncated to 3 sites

   Top 59 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #3 of 16
   0%                             100%
   |===============================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 23 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.837  0.878  0.097    -191.35  4.49   0.0      3     34.315/    34.315
   2      0.852  0.380  0.094    -195.92  4.79  29.1      3     42.157/    49.668
   3      0.324  0.282  0.999    -200.69  4.18  27.6      2     25.953/    30.194
   #SITES = 23: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #4 of 16
   ---------------------------
   Ensemble ensemble1 Euler 240.22  41.34 167.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 44 sites over 67.5% of top
   44 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.936  0.215  0.978     32.719  4.38
   2      0.599  0.812  0.738     32.628  4.37
   3      0.837  0.310  0.325     32.405  4.37
   #Sites = 44: output truncated to 3 sites

   Top 44 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #4 of 16
   0%                      100%
   |=======================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 26 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.599  0.812  0.738    -198.75  4.37   0.0      1     32.628/    32.628
   2      0.243  0.393  0.909    -199.86  3.98  15.3      3     22.331/    26.055
   3      0.936  0.215  0.978    -202.70  4.38  16.8      1     32.719/    32.719
   #SITES = 26: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #5 of 16
   ---------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 25 sites over 67.5% of top
   25 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.426  0.956  0.167     30.421  4.52
   2      0.800  0.490  0.838     22.664  4.23
   3      0.446  0.430  0.775     21.018  4.17
   #Sites = 25: output truncated to 3 sites

   Top 25 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #5 of 16
   0%            100%
   |==============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.426  0.956  0.167    -197.64  4.52   0.0      1     30.421/    30.421
   2      0.051  0.946  0.079    -207.82  3.75  23.2      1      9.778/     9.778
   3      0.446  0.430  0.775    -212.82  4.17  25.4      1     21.018/    21.018
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #6 of 16
   ---------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.376  0.787  0.141     43.320  4.83
   2      0.379  0.789  0.138     32.180  4.41
   3      0.814  0.817  0.876     31.539  4.38
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #6 of 16
   0%                       100%
   |========================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 30 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.814  0.817  0.876    -198.10  4.38   0.0      2     31.539/    31.539
   2      0.366  0.777  0.143    -198.29  4.25  30.9      4     28.129/    43.320
   3      0.729  0.999  0.516    -203.41  4.25  32.1      2     28.013/    28.013
   #SITES = 30: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #7 of 16
   ---------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 49 sites over 67.5% of top
   49 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.532  0.267  0.943     37.423  4.49
   2      0.091  0.366  0.184     34.249  4.37
   3      0.811  0.907  0.345     32.304  4.30
   #Sites = 49: output truncated to 3 sites

   Top 49 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #7 of 16
   0%                        100%
   |==========================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 35 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.669  0.669  0.195    -204.33  3.85   0.0      1     20.703/    20.703
   2      0.091  0.366  0.184    -206.86  4.37  29.4      1     34.249/    34.249
   3      0.183  0.166  0.632    -209.35  3.53  20.2      1     12.425/    12.425
   #SITES = 35: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #8 of 16
   ---------------------------
   Ensemble ensemble1 Euler 292.35  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.929  0.912  0.920     33.324  4.72
   2      0.921  0.903  0.918     31.969  4.67
   3      0.928  0.416  0.915     24.913  4.40
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #8 of 16
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.921  0.903  0.918    -199.48  4.67   0.0      2     31.969/    33.324
   2      0.341  0.392  0.615    -209.51  3.92  19.5      2     12.014/    12.014
   3      0.928  0.416  0.915    -213.87  4.40  28.8      1     24.913/    24.913
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #9 of 16
   ---------------------------
   Ensemble ensemble1 Euler 328.22 168.17 341.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 21 sites over 67.5% of top
   21 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.303  0.954  0.910     35.849  4.86
   2      0.256  0.411  0.836     22.418  4.36
   3      0.252  0.408  0.838     20.098  4.27
   #Sites = 21: output truncated to 3 sites

   Top 21 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #9 of 16
   0%          100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.303  0.954  0.910    -200.85  4.86   0.0      1     35.849/    35.849
   2      0.252  0.408  0.838    -214.74  4.27  26.7      2     20.098/    22.418
   3      0.005  0.490  0.309    -223.03  4.07  27.0      2     14.859/    14.859
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #10 of 16
   ----------------------------
   Ensemble ensemble1 Euler 106.46 107.23 118.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 35 sites over 67.5% of top
   35 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.651  0.730  0.771     30.471  4.65
   2      0.221  0.490  0.440     24.950  4.44
   3      0.067  0.170  0.209     23.578  4.39
   #Sites = 35: output truncated to 3 sites

   Top 35 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #10 of 16
   0%                 100%
   |===================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 21 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.166  0.653  0.753    -198.60  4.20   0.0      2     18.440/    18.440
   2      0.221  0.490  0.440    -202.30  4.44   7.1      2     24.950/    24.950
   3      0.076  0.180  0.209    -203.11  3.98  26.7      2     12.475/    23.578
   #SITES = 21: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #11 of 16
   ----------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 46 sites over 67.5% of top
   46 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.795  0.135  0.090     31.480  4.48
   2      0.795  0.135  0.091     29.563  4.41
   3      0.108  0.229  0.771     28.216  4.36
   #Sites = 46: output truncated to 3 sites

   Top 46 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #11 of 16
   0%                       100%
   |========================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 32 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.319  0.247  0.922    -211.08  4.00   0.0      1     18.611/    18.611
   2      0.309  0.094  0.130    -213.52  3.85  21.3      1     14.570/    14.570
   3      0.907  0.787  0.911    -216.57  4.05  25.7      2     20.011/    20.011
   #SITES = 32: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #12 of 16
   ----------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 27 sites over 67.5% of top
   27 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.674  0.161  0.188     44.085  5.07
   2      0.355  0.511  0.048     32.090  4.62
   3      0.671  0.157  0.189     29.218  4.51
   #Sites = 27: output truncated to 3 sites

   Top 27 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #12 of 16
   0%             100%
   |===============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.701  0.840  0.958    -198.62  3.99   0.0      2     15.669/    15.669
   2      0.537  0.589  0.897    -202.80  4.47  14.1      1     28.213/    28.213
   3      0.212  0.281  0.845    -208.93  4.07  30.1      2     17.716/    17.716
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #13 of 16
   ----------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.071  0.836  0.947     20.999  4.15
   2      0.180  0.675  0.169     20.993  4.15
   3      0.277  0.663  0.689     18.245  4.05
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #13 of 16
   0%         100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.183  0.175  0.162    -203.08  3.72   0.0      1     9.6243/    9.6243
   2      0.180  0.675  0.169    -204.05  4.15  29.3      1    20.9925/   20.9925
   3      0.951  0.551  0.251    -217.37  3.68  27.1      1     8.7572/    8.7572
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #14 of 16
   ----------------------------
   Ensemble ensemble1 Euler 283.96  92.73  53.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.192  0.453  0.962     22.331  4.35
   2      0.870  0.468  0.051     19.941  4.26
   3      0.874  0.467  0.048     19.783  4.25
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #14 of 16
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.195  0.456  0.963    -214.95  4.10   0.0      2     15.605/    22.331
   2      0.542  0.789  0.878    -216.60  3.81  21.5      1      8.111/     8.111
   3      0.779  0.495  0.753    -219.17  4.07  26.9      2     14.940/    15.526
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #15 of 16
   ----------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 29 sites over 67.5% of top
   29 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.421  0.671  0.028     28.814  4.57
   2      0.626  0.330  0.531     18.219  4.17
   3      0.595  0.555  0.104     17.611  4.15
   #Sites = 29: output truncated to 3 sites

   Top 29 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #15 of 16
   0%              100%
   |================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 24 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.331  0.532    -212.13  3.95   0.0      2     12.343/    18.219
   2      0.101  0.178  0.216    -219.51  3.89  29.5      1     10.813/    10.813
   3      0.529  0.278  0.198    -220.96  3.83   7.7      2      9.082/    15.082
   #SITES = 24: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #16 of 16
   ----------------------------
   Ensemble ensemble1 Euler 190.15  36.13  89.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -182.55 (TFZ=5.0)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 37 sites over 67.5% of top
   37 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.544  0.125  0.391     45.377  5.08
   2      0.204  0.598  0.878     38.400  4.81
   3      0.209  0.603  0.877     34.469  4.67
   #Sites = 37: output truncated to 3 sites

   Top 37 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #16 of 16
   0%                  100%
   |====================| DONE


   New Top (ML) Translation Function LLG = -179.03 (TFZ=5.1) at Trial #16

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.544  0.125  0.391    -179.03  5.08   0.0      1     45.377/    45.377
   2      0.204  0.598  0.878    -182.43  4.81  23.8      2     38.400/    38.400
   3      0.640  0.551  0.249    -183.67  4.13  26.1      2     20.401/    20.401
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES


-----------------------------
TRANSLATION FUNCTION #6 OF 38
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RF++ TFZ=19.7 +TNCS PAK=0 LLG=38
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.9  138.1 FRAC -0.35  0.05 -0.00 BFAC
    24.20
   SOLU 6DIM ENSE ensemble1 EULER  279.1  107.8  140.7 FRAC -0.35 -0.46 -0.01 BFAC
    24.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.262 105.870 137.302

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5      -3.1  ensemble1
   2     272.3  105.9  137.3     -39.1  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

-----------------------------
TRANSLATION FUNCTION #7 OF 38
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159 RF++ TFZ=18.8 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  275.6  105.8  139.0 FRAC  0.58  0.90 -0.00 BFAC
    22.46
   SOLU 6DIM ENSE ensemble1 EULER  278.2  112.8  140.1 FRAC -0.42  0.39 -0.01 BFAC
    22.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.697 107.153 139.517

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -43.6  ensemble1
   2     272.7  107.2  139.5    -119.3  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

-----------------------------
TRANSLATION FUNCTION #8 OF 38
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=19.0 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  266.9  107.0  140.1 FRAC  0.64  1.32  0.01 BFAC
    24.47
   SOLU 6DIM ENSE ensemble1 EULER  271.9  108.0  139.6 FRAC  0.62  1.81 -0.00 BFAC
    24.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.92
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.489 107.147 138.248

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -45.5  ensemble1
   2     272.5  107.1  138.2    -116.7  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

-----------------------------
TRANSLATION FUNCTION #9 OF 38
-----------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=18.9 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  265.5  110.9  134.6 FRAC -0.37  0.83  0.00 BFAC
    24.70
   SOLU 6DIM ENSE ensemble1 EULER  275.5  108.1  139.0 FRAC -0.37  0.30 -0.00 BFAC
    24.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.903   79.295   48.455 RFZ  3.69
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 272.489 107.147 138.248

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      32.9   79.3   48.5     -50.9  ensemble1
   2     272.5  107.1  138.2    -108.3  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #10 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159 RF++ TFZ=18.7 +TNCS PAK=0 LLG=32
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  275.5  116.0  141.1 FRAC  0.67  1.41 -0.00 BFAC
    22.68
   SOLU 6DIM ENSE ensemble1 EULER  154.5  109.4  141.5 FRAC  0.24  1.32 -0.34 BFAC
    22.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 1 unique orientations for ensemble "ensemble1"
         #1 273.636 108.779 140.081

   This TF set has 2 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -51.4  ensemble1
   2     273.6  108.8  140.1     -99.8  ensemble1

      0 trial orientations in initial search
      2 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #11 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=18.5 +TNCS PAK=0 LLG=32
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  280.6  114.2  138.0 FRAC  0.51  0.78 -0.00 BFAC
    25.58
   SOLU 6DIM ENSE ensemble1 EULER  274.2  106.6  140.8 FRAC  0.50  0.30 -0.01 BFAC
    25.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.903   79.295   48.455 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.09
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.112 107.090 139.427
         #2 280.634 114.194 137.984

   This TF set has 6 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      32.9   79.3   48.5     -56.7  ensemble1
   2      34.1  112.7   28.1     -63.9  ensemble1
   3     271.9   76.8  205.7     -59.4  ensemble1
   4     200.3  130.2  358.6     -69.9  ensemble1
   5     273.1  107.1  139.4    -120.3  ensemble1
   6     280.6  114.2  138.0    -135.5  ensemble1

      0 trial orientations in initial search
      6 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #12 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156 RF++ TFZ=18.7 +TNCS PAK=0 LLG=29
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  275.1  108.4  141.7 FRAC  0.50  1.10 -0.01 BFAC
    25.97
   SOLU 6DIM ENSE ensemble1 EULER  267.5  116.1  133.0 FRAC  0.51  0.63 -0.00 BFAC
    25.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  3.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.504 107.050 139.307
         #2 267.493 116.077 132.966

   This TF set has 6 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -45.8  ensemble1
   2     271.9   76.8  205.7     -47.1  ensemble1
   3     225.7  100.3   28.7     -57.9  ensemble1
   4     194.2  100.0  224.5     -61.0  ensemble1
   5     272.5  107.1  139.3     -88.4  ensemble1
   6     267.5  116.1  133.0    -100.5  ensemble1

      0 trial orientations in initial search
      6 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #13 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=5.5 +TNCS PAK=3 LLG=4
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   47.431   51.079  220.363 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.256  100.769  214.722 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.339   13.869  164.035 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.090  149.453  327.843 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.767   75.249  320.815 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  112.600   69.431  197.196 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.914   66.997   36.416 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.966   39.048  167.787 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.517   75.429  257.833 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.161  154.261  328.399 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  257.789  119.527  139.389 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.934  109.721   15.844 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   86.406   37.258   91.770 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  127.486  101.271  140.372 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   69.452   11.206  172.708 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.903   33.352  194.114 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.800   72.334  199.617 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.179   70.088  260.653 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.851  140.979    3.191 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.977   66.124  287.371 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.208  163.714  333.602 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.313  138.565    1.491 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.162  107.624   93.714 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.644   74.512  295.687 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.316   68.304  213.142 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.195  150.734   20.882 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.118   77.049  294.298 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.468   40.915  207.626 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.165  126.757   11.784 RFZ  2.31
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.028 108.310 140.369
         #2  2.089 156.829  4.060

   This TF set has 51 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1      43.7   78.4   44.5     -39.9  ensemble1
   2     308.8   98.1  231.6     -62.9  ensemble1
   3      29.8   97.7  232.6     -52.0  ensemble1
   4      47.4   51.1  220.4     -56.1  ensemble1
   5     126.1  101.8   24.9     -63.3  ensemble1
   6     163.2   59.5  168.2     -53.7  ensemble1
   7      10.3  100.8  214.7     -60.8  ensemble1
   8     196.3   13.9  164.0     -66.0  ensemble1
   ----- angles below here for deep search only -----
   9     277.1  149.5  327.8     -87.7  ensemble1
   10     34.1  112.7   28.1     -48.8  ensemble1
   11    105.5   19.6  155.5     -60.1  ensemble1
   12     50.6   52.3  166.8     -50.0  ensemble1
   13    334.8   75.2  320.8     -62.8  ensemble1
   14    292.3   78.3  209.1     -52.3  ensemble1
   15     20.2  100.2  223.8     -52.7  ensemble1
   16    112.6   69.4  197.2     -67.8  ensemble1
   17    305.9   67.0   36.4     -74.1  ensemble1
   18    225.7  100.3   28.7     -44.7  ensemble1
   19    200.3  130.2  358.6     -49.4  ensemble1
   20    194.2   78.3  209.1     -51.3  ensemble1
   21    171.0   39.0  167.8     -72.1  ensemble1
   22    147.2  112.3   28.6     -60.0  ensemble1
   23    167.5   75.4  257.8     -88.7  ensemble1
   24    335.2  154.3  328.4     -57.9  ensemble1
   25    257.8  119.5  139.4     -74.3  ensemble1
   26    306.9  109.7   15.8     -60.4  ensemble1
   27     86.4   37.3   91.8     -73.8  ensemble1
   28    127.5  101.3  140.4     -86.4  ensemble1
   29     69.5   11.2  172.7     -66.2  ensemble1
   30    276.9   33.4  194.1     -54.8  ensemble1
   31    224.5   53.0  166.9     -57.1  ensemble1
   32     34.8   72.3  199.6     -69.0  ensemble1
   33    206.1   65.5  208.5     -63.1  ensemble1
   34    146.7  145.7    8.4     -51.9  ensemble1
   35    292.2   70.1  260.7     -62.9  ensemble1
   36     10.1   76.8  205.7     -60.0  ensemble1
   37     42.9  141.0    3.2     -63.4  ensemble1
   38    135.3   43.0  166.9     -64.8  ensemble1
   39    190.1   36.1   89.9     -54.1  ensemble1
   40    270.0   66.1  287.4     -67.6  ensemble1
   41    311.2  163.7  333.6     -49.7  ensemble1
   42    312.3  138.6    1.5     -65.0  ensemble1
   43    151.2  107.6   93.7     -89.5  ensemble1
   44    196.6   74.5  295.7     -66.0  ensemble1
   45    269.3   68.3  213.1     -73.0  ensemble1
   46    346.2  150.7   20.9     -74.3  ensemble1
   47    319.1   77.0  294.3     -80.8  ensemble1
   48     44.5   40.9  207.6     -71.3  ensemble1
   49    160.2  126.8   11.8     -83.7  ensemble1
   50    273.0  108.3  140.4     -77.8  ensemble1
   51      2.1  156.8    4.1     -71.9  ensemble1

      8 trial orientations in initial search
      43 trial orientations in deep search


   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #13 of 38
   0%                         100%
   |===========================| DONE

   Mean Score (Sigma):       -392.93   (36.77)

   SET #13 of 38 TRIAL #1 of 8
   ---------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.004  0.551  0.013     41.182  5.32
   2      0.998  0.546  0.013     38.021  5.20
   3      0.121  0.560  0.007     31.511  4.97
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #1 of 8
   0%            100%
   |=============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.998  0.546  0.013    -198.11  5.20   0.0      2     38.021/    41.182
   2      0.849  0.215  0.887    -205.88  4.60  20.6      2     21.352/    28.118
   3      0.121  0.560  0.007    -211.01  4.97   6.9      2     31.511/    31.511
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #2 of 8
   ---------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 14 sites over 67.5% of top
   14 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.913  0.876  0.855     21.722  4.96
   2      0.913  0.377  0.856     21.005  4.94
   3      0.359  0.366  0.219      8.027  4.47
   #Sites = 14: output truncated to 3 sites

   Top 14 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #2 of 8
   0%       100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.913  0.377  0.856    -213.32  4.94   0.0      1     21.005/    21.005
   2      0.913  0.876  0.855    -213.42  4.96  29.2      1     21.722/    21.722
   3      0.359  0.366  0.219    -217.65  4.47  20.3      2      8.027/     8.027
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #3 of 8
   ---------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.074  0.535  0.004    -0.0843  4.42
   2      0.405  0.589  0.027    -2.2597  4.34

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #3 of 8
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.074  0.535  0.004    -255.33  4.42   0.0      1    -0.0843/   -0.0843
   2      0.405  0.589  0.027    -255.50  4.34  18.1      1    -2.2597/   -2.2597

   SET #13 of 38 TRIAL #4 of 8
   ---------------------------
   Ensemble ensemble1 Euler  47.43  51.08 220.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.682  0.420  0.924     19.633  5.01
   2      0.686  0.921  0.926     13.876  4.81
   3      0.681  0.917  0.926     12.512  4.77
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #4 of 8
   0%        100%
   |=========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.683  0.466  0.985    -232.06  4.49   0.0      2     4.6420/    6.8589
   2      0.568  0.436  0.089    -232.21  4.41  11.5      1     2.3071/    2.3071
   3      0.686  0.921  0.926    -232.92  4.81  27.1      2    13.8756/   13.8756
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #5 of 8
   ---------------------------
   Ensemble ensemble1 Euler 126.10 101.83  24.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.104  0.359  0.226     6.3759  4.63
   2      0.100  0.861  0.227     6.0514  4.62
   3      0.718  0.336  0.987     5.9254  4.61
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #5 of 8
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.104  0.359  0.226    -246.10  4.63   0.0      2     6.3759/    6.3759
   2      0.167  0.010  0.740    -246.62  4.30  19.8      1    -2.9435/   -2.9435
   3      0.718  0.336  0.987    -247.84  4.61  27.9      2     5.9254/    5.9254
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #6 of 8
   ---------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.416  0.655  0.002     9.1617  4.80
   2      0.402  0.642  0.007     1.8530  4.55
   3      0.580  0.293  0.145    -0.0277  4.48
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #6 of 8
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.416  0.655  0.002    -240.52  4.80   0.0      2     9.1617/    9.1617
   2      0.694  0.079  0.200    -249.97  4.48  28.7      1    -0.2311/   -0.2311
   3      0.580  0.293  0.145    -269.42  4.48  30.4      1    -0.0277/   -0.0277

   SET #13 of 38 TRIAL #7 of 8
   ---------------------------
   Ensemble ensemble1 Euler  10.26 100.77 214.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.615  0.054  0.079    -2.1872  4.77
   2      0.616  0.055  0.075    -2.4687  4.76
   3      0.013  0.863  0.838    -8.3402  4.56
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #7 of 8
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.616  0.055  0.075    -244.01  4.76   0.0      2    -2.4687/   -2.1872
   2      0.618  0.563  0.079    -255.13  4.55  28.9      1    -8.5208/   -8.5208
   3      0.092  0.391  0.987    -259.43  4.56  26.2      1    -8.3903/   -8.3903
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #8 of 8
   ---------------------------
   Ensemble ensemble1 Euler 196.34  13.87 164.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.153  0.991  0.978     4.2704  4.78
   2      0.157  0.495  0.980    -0.7780  4.60

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #8 of 8
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.153  0.991  0.978    -227.63  4.78   0.0      1     4.2704/    4.2704
   2      0.157  0.495  0.980    -239.56  4.60  29.1      1    -0.7780/   -0.7780


------------------------------
TRANSLATION FUNCTION #14 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  184.326  100.789  215.399 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.832   40.915  207.626 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.86
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 26.875 87.448 46.798

   This TF set has 15 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     146.7  145.7    8.4     -38.6  ensemble1
   2     206.1   65.5  208.5     -38.6  ensemble1
   3      50.6   52.3  166.8     -33.5  ensemble1
   4     163.2   59.5  168.2     -30.5  ensemble1
   5      43.7   78.4   44.5     -18.8  ensemble1
   6      91.7   68.2  286.4     -43.7  ensemble1
   7     184.3  100.8  215.4     -44.2  ensemble1
   8      34.1  112.7   28.1     -33.1  ensemble1
   9      20.2  100.2  223.8     -34.2  ensemble1
   10    296.6   72.3  199.6     -42.1  ensemble1
   11    105.5   19.6  155.5     -33.2  ensemble1
   12    240.8   40.9  207.6     -52.7  ensemble1
   13    108.3   76.8  205.7     -35.1  ensemble1
   14    272.3  106.4  139.1     -71.9  ensemble1
   15     26.9   87.4   46.8     -24.1  ensemble1

      0 trial orientations in initial search
      15 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #15 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.3 +TNCS PAK=1 LLG=4
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   97.438  102.607  141.254 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.08
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 209.318 115.062 248.527

   This TF set has 7 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     271.9   76.8  205.7     -56.4  ensemble1
   2      29.8   97.7  232.6     -53.0  ensemble1
   3     163.2   59.5  168.2     -37.7  ensemble1
   4      97.4  102.6  141.3     -57.3  ensemble1
   5     224.5   53.0  166.9     -52.8  ensemble1
   6     272.3  106.4  139.1     -87.8  ensemble1
   7     209.3  115.1  248.5     -68.4  ensemble1

      0 trial orientations in initial search
      7 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #16 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.8 +TNCS PAK=2 LLG=3
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.262   34.019  192.751 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER    9.645  142.428    4.490 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.604   37.293  187.795 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.277  109.306  132.503 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.463  107.226  118.433 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.320   99.851  225.476 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.203  100.108  224.151 RFZ  2.54
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 15.869 109.358 218.616

   This TF set has 19 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     146.7  145.7    8.4     -56.1  ensemble1
   2     271.9   76.8  205.7     -44.1  ensemble1
   3      29.8   97.7  232.6     -46.6  ensemble1
   4     296.6   72.3  199.6     -56.5  ensemble1
   5      50.6   52.3  166.8     -57.8  ensemble1
   6     345.3   34.0  192.8     -60.8  ensemble1
   7       9.6  142.4    4.5     -62.7  ensemble1
   8     200.3  130.2  358.6     -55.3  ensemble1
   9     135.3   43.0  166.9     -56.2  ensemble1
   10    206.1   65.5  208.5     -54.8  ensemble1
   11    280.6   37.3  187.8     -55.5  ensemble1
   12    104.3  109.3  132.5     -56.8  ensemble1
   13    106.5  107.2  118.4     -69.6  ensemble1
   14    236.7   51.6  166.8     -49.3  ensemble1
   15    308.8   98.1  231.6     -55.3  ensemble1
   16    275.3   99.9  225.5     -54.3  ensemble1
   17    287.2  100.1  224.2     -65.9  ensemble1
   18    272.3  106.4  139.1     -92.8  ensemble1
   19     15.9  109.4  218.6     -53.4  ensemble1

      0 trial orientations in initial search
      19 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #17 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=5.0 +TNCS PAK=5 LLG=2
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.79  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC  0.78  1.15 -0.02 BFAC
    23.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.795  111.374  219.733 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.270   85.470  233.506 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.427   11.698  115.051 RFZ  2.74
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 270.243 104.508 135.799
         #2 191.740 129.444 346.987

   This TF set has 11 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -38.4  ensemble1
   2      29.8   97.7  232.6     -40.8  ensemble1
   3     206.1   65.5  208.5     -46.2  ensemble1
   4     225.7  100.3   28.7     -49.6  ensemble1
   5      34.1  112.7   28.1     -55.6  ensemble1
   6       5.8  111.4  219.7     -60.7  ensemble1
   7     147.2  112.3   28.6     -50.9  ensemble1
   8     278.3   85.5  233.5     -47.8  ensemble1
   9      66.4   11.7  115.1     -66.7  ensemble1
   10    270.2  104.5  135.8     -86.3  ensemble1
   11    191.7  129.4  347.0     -24.9  ensemble1

      0 trial orientations in initial search
      11 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #18 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.6 +TNCS PAK=8 LLG=1
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC -0.35 -0.03 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   18.0  105.0  219.3 FRAC -0.35  0.47 -0.09 BFAC
    25.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.520   69.404  298.452 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.432   26.214  177.971 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.735  112.611   83.611 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.519   79.862   50.372 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.617  132.511  359.050 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.693   39.559  185.471 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.048   47.403  181.183 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.262   34.019  192.751 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.277  109.306  132.503 RFZ  2.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 16.625 104.385 217.641

   This TF set has 30 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     209.5  117.0   24.8     -65.7  ensemble1
   2     102.1   15.0  161.6     -58.2  ensemble1
   3     308.8   98.1  231.6     -51.6  ensemble1
   4      43.7   78.4   44.5     -38.8  ensemble1
   5     266.7   13.0  166.2     -48.2  ensemble1
   6     271.9   76.8  205.7     -49.6  ensemble1
   7     146.7  145.7    8.4     -50.8  ensemble1
   8     135.3   43.0  166.9     -59.1  ensemble1
   9      14.1  123.6  345.6     -64.9  ensemble1
   10     34.1  112.7   28.1     -45.7  ensemble1
   11    206.1   65.5  208.5     -42.8  ensemble1
   12    311.5   69.4  298.5     -70.6  ensemble1
   13    109.4   26.2  178.0     -63.9  ensemble1
   14    317.5   52.6  166.9     -74.8  ensemble1
   15    145.7  112.6   83.6     -66.7  ensemble1
   16     50.6   52.3  166.8     -56.1  ensemble1
   17    207.5   79.9   50.4     -62.1  ensemble1
   18      8.6  132.5  359.0     -71.3  ensemble1
   19    126.1  101.8   24.9     -54.9  ensemble1
   20    101.7   39.6  185.5     -58.2  ensemble1
   21    296.6   72.3  199.6     -60.9  ensemble1
   22    305.0   47.4  181.2     -76.0  ensemble1
   23    200.3  130.2  358.6     -74.6  ensemble1
   24    224.5   53.0  166.9     -53.2  ensemble1
   25    236.7   51.6  166.8     -57.1  ensemble1
   26     29.8   97.7  232.6     -40.1  ensemble1
   27    345.3   34.0  192.8     -58.0  ensemble1
   28    104.3  109.3  132.5     -64.6  ensemble1
   29    272.3  106.4  139.1     -92.2  ensemble1
   30     16.6  104.4  217.6     -50.5  ensemble1

      0 trial orientations in initial search
      30 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #19 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=5.2 +TNCS PAK=2 LLG=1
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   30.6   84.3   48.8 FRAC -0.37  0.28 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   31.2   81.4   48.4 FRAC -0.37 -0.22 -0.01 BFAC
    24.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   97.329   84.034  235.787 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  3.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.798   27.316  176.315 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.446   89.341   28.040 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.896   74.821  202.467 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.217   83.052  237.158 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.078   74.821  202.467 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.985   67.549  312.592 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.016   51.056  180.457 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.484   77.834   32.508 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  198.906  125.550  345.230 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.099   92.575   53.130 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.857   97.107  234.106 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.408  103.967   21.508 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.161  154.261  328.399 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.236  159.034  330.026 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.440  144.687  264.439 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.520   69.404  298.452 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   86.406   37.258   91.770 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.966  134.713  344.511 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.353   58.863  168.020 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   11.207   38.406  186.568 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.958   21.762  153.851 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.735   98.212  231.301 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.32
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.540 107.143 139.391
         #2 30.645 84.346 48.795

   This TF set has 54 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     163.2   59.5  168.2     -44.5  ensemble1
   2      50.6   52.3  166.8     -45.1  ensemble1
   ----- angles below here for deep search only -----
   3     206.1   65.5  208.5     -41.4  ensemble1
   4      43.7   78.4   44.5     -36.6  ensemble1
   5      97.3   84.0  235.8     -65.1  ensemble1
   6     146.7  145.7    8.4     -39.6  ensemble1
   7     218.3   78.8   46.5     -51.7  ensemble1
   8     105.5   19.6  155.5     -40.6  ensemble1
   9      20.2  100.2  223.8     -72.3  ensemble1
   10     99.0   35.2  190.7     -37.6  ensemble1
   11    224.5   53.0  166.9     -46.8  ensemble1
   12     98.8   27.3  176.3     -48.9  ensemble1
   13    308.8   98.1  231.6     -34.7  ensemble1
   14    271.9   76.8  205.7     -39.5  ensemble1
   15    317.5   52.6  166.9     -43.7  ensemble1
   16     91.7   68.2  286.4     -50.8  ensemble1
   17    175.4   89.3   28.0     -54.5  ensemble1
   18    155.5  128.9  358.5     -53.5  ensemble1
   19    209.5  117.0   24.8     -33.7  ensemble1
   20    200.3  130.2  358.6     -46.3  ensemble1
   21    240.2   41.3  167.2     -52.7  ensemble1
   22     87.9   74.8  202.5     -53.6  ensemble1
   23    209.2   83.1  237.2     -75.3  ensemble1
   24    186.1   74.8  202.5     -50.9  ensemble1
   25    318.0   67.5  312.6     -69.2  ensemble1
   26    192.0   51.1  180.5     -67.2  ensemble1
   27     29.8   97.7  232.6     -47.4  ensemble1
   28     76.5   77.8   32.5     -69.3  ensemble1
   29    198.9  125.6  345.2     -54.6  ensemble1
   30    205.1   92.6   53.1     -51.8  ensemble1
   31     10.1   76.8  205.7     -55.9  ensemble1
   32     14.1  123.6  345.6     -41.2  ensemble1
   33     42.6  130.9  358.7     -63.9  ensemble1
   34    284.9   97.1  234.1     -67.5  ensemble1
   35    146.4  104.0   21.5     -60.1  ensemble1
   36     32.4   63.5  206.9     -53.2  ensemble1
   37    158.6  141.2   29.7     -53.8  ensemble1
   38    335.2  154.3  328.4     -54.0  ensemble1
   39    298.2  159.0  330.0     -60.0  ensemble1
   40     42.4  144.7  264.4     -68.2  ensemble1
   41    311.5   69.4  298.5     -42.5  ensemble1
   42     86.4   37.3   91.8     -72.3  ensemble1
   43    296.6   72.3  199.6     -45.5  ensemble1
   44    102.0  134.7  344.5     -53.9  ensemble1
   45    349.4   58.9  168.0     -58.2  ensemble1
   46     11.2   38.4  186.6     -59.4  ensemble1
   47     34.1  112.7   28.1     -41.3  ensemble1
   48    298.0   21.8  153.9     -60.5  ensemble1
   49    194.2   78.3  209.1     -53.1  ensemble1
   50     41.7   98.2  231.3     -50.0  ensemble1
   51    345.4  136.0  344.6     -48.3  ensemble1
   52    135.3   43.0  166.9     -40.1  ensemble1
   53    272.5  107.1  139.4     -96.3  ensemble1
   54     30.6   84.3   48.8     -42.0  ensemble1

      2 trial orientations in initial search
      52 trial orientations in deep search


   Scoring 540 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #19 of 38
   0%                           100%
   |============================| DONE

   Mean Score (Sigma):       -387.96   (36.09)

   SET #19 of 38 TRIAL #1 of 2
   ---------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.780  0.137  0.961     4.9668  4.58
   2      0.174  0.473  0.051     2.1658  4.48
   3      0.785  0.147  0.959     2.0270  4.48
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 38 TRIAL #1 of 2
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.174  0.473  0.051    -244.38  4.48   0.0      1     2.1658/    2.1658
   2      0.424  0.241  0.009    -251.83  4.38  24.8      1    -0.6578/   -0.6578
   3      0.246  0.844  0.091    -258.74  4.35  20.3      1    -1.7322/   -1.7322
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #19 of 38 TRIAL #2 of 2
   ---------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.390  0.030  0.097     6.4573  4.62
   2      0.391  0.528  0.097    -1.8052  4.33
   3      0.233  0.228  0.915    -2.5158  4.30

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 38 TRIAL #2 of 2
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.390  0.030  0.097    -233.73  4.62   0.0      1     6.4573/    6.4573
   2      0.391  0.528  0.097    -237.26  4.33  29.1      1    -1.8052/   -1.8052
   3      0.233  0.228  0.915    -245.82  4.30  24.8      1    -2.5158/   -2.5158


------------------------------
TRANSLATION FUNCTION #20 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6 LLG=-0
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.944   80.285   51.634 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.617  132.511  359.050 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.741   76.825  205.670 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.450   88.583  206.258 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.520   69.404  298.452 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.406   37.258   91.770 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.236  159.034  330.026 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.197 107.070 139.171
         #2 33.728 88.558 52.751

   This TF set has 25 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     308.8   98.1  231.6     -38.5  ensemble1
   ----- angles below here for deep search only -----
   2      50.6   52.3  166.8     -30.3  ensemble1
   3     271.9   76.8  205.7     -38.8  ensemble1
   4     163.2   59.5  168.2     -28.5  ensemble1
   5     224.5   53.0  166.9     -37.9  ensemble1
   6     194.2  100.0  224.5     -51.9  ensemble1
   7     345.4  136.0  344.6     -47.6  ensemble1
   8     158.6  141.2   29.7     -46.2  ensemble1
   9     209.5  117.0   24.8     -41.5  ensemble1
   10    323.9   80.3   51.6     -53.2  ensemble1
   11    206.1   65.5  208.5     -31.4  ensemble1
   12     29.8   97.7  232.6     -44.7  ensemble1
   13    108.3   76.8  205.7     -51.4  ensemble1
   14    236.7   51.6  166.8     -46.7  ensemble1
   15      8.6  132.5  359.0     -59.3  ensemble1
   16    173.7   76.8  205.7     -53.5  ensemble1
   17    196.5   88.6  206.3     -50.6  ensemble1
   18    311.5   69.4  298.5     -46.7  ensemble1
   19    146.7  145.7    8.4     -34.5  ensemble1
   20     14.4   37.3   91.8     -50.7  ensemble1
   21    298.2  159.0  330.0     -46.3  ensemble1
   22    200.3  130.2  358.6     -42.3  ensemble1
   23     34.1  112.7   28.1     -47.3  ensemble1
   24    273.2  107.1  139.2     -76.5  ensemble1
   25     33.7   88.6   52.8     -51.6  ensemble1

      1 trial orientations in initial search
      24 trial orientations in deep search


   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #20 of 38
   0%            100%
   |==============| DONE

   Mean Score (Sigma):       -409.96   (42.03)

   SET #20 of 38 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.113  0.480  0.030    -5.8993  4.47

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #20 of 38 TRIAL #1 of 1
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.113  0.480  0.030    -248.54  4.47   0.0      1    -5.8993/   -5.8993


------------------------------
TRANSLATION FUNCTION #21 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RFZ=3.5 TFZ=5.5 +TNCS PAK=2 LLG=-2
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   27.4   85.4   46.9 FRAC -0.21  0.12 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER   29.9   85.4   48.4 FRAC -0.21 -0.38 -0.00 BFAC
    25.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   97.329   84.034  235.787 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.403   91.282   50.440 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   11.207   38.406  186.568 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.857   97.107  234.106 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  198.906  125.550  345.230 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   94.230   31.772  198.152 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.016   51.056  180.457 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.446   89.341   28.040 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  350.262  128.827   28.369 RFZ  2.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.795 106.998 138.434
         #2 27.406 85.435 46.931

   This TF set has 30 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -36.3  ensemble1
   2     163.2   59.5  168.2     -38.9  ensemble1
   3      50.6   52.3  166.8     -35.8  ensemble1
   4      97.3   84.0  235.8     -65.8  ensemble1
   5      91.7   68.2  286.4     -57.1  ensemble1
   6     218.3   78.8   46.5     -50.6  ensemble1
   7      20.2  100.2  223.8     -52.9  ensemble1
   8     206.1   65.5  208.5     -43.9  ensemble1
   9     296.6   72.3  199.6     -63.3  ensemble1
   10    317.5   52.6  166.9     -58.7  ensemble1
   11    224.5   53.0  166.9     -39.5  ensemble1
   12     42.6  130.9  358.7     -62.6  ensemble1
   13    240.2   41.3  167.2     -51.0  ensemble1
   14    215.4   91.3   50.4     -64.0  ensemble1
   15    209.5  117.0   24.8     -43.5  ensemble1
   16     11.2   38.4  186.6     -57.2  ensemble1
   17    271.9   76.8  205.7     -36.9  ensemble1
   18    284.9   97.1  234.1     -61.7  ensemble1
   19    308.8   98.1  231.6     -30.7  ensemble1
   20    198.9  125.6  345.2     -57.1  ensemble1
   21    105.5   19.6  155.5     -49.3  ensemble1
   22     14.1  123.6  345.6     -57.0  ensemble1
   23     94.2   31.8  198.2     -52.6  ensemble1
   24    192.0   51.1  180.5     -55.1  ensemble1
   25     34.1  112.7   28.1     -47.9  ensemble1
   26    345.4  136.0  344.6     -42.7  ensemble1
   27    175.4   89.3   28.0     -56.7  ensemble1
   28    350.3  128.8   28.4     -49.6  ensemble1
   29    272.8  107.0  138.4     -89.4  ensemble1
   30     27.4   85.4   46.9     -51.7  ensemble1

      0 trial orientations in initial search
      30 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #22 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=6.3 +TNCS PAK=0 LLG=-3
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.63  0.79  0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   28.1   86.1   49.2 FRAC -0.37  0.28 -0.00 BFAC
    25.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.14
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.540 107.143 139.391
         #2 27.878 85.662 48.831

   This TF set has 9 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      50.6   52.3  166.8     -37.2  ensemble1
   2     163.2   59.5  168.2     -36.9  ensemble1
   3     206.1   65.5  208.5     -41.7  ensemble1
   4      43.7   78.4   44.5     -36.2  ensemble1
   5     105.5   19.6  155.5     -46.8  ensemble1
   6      91.7   68.2  286.4     -39.3  ensemble1
   7     218.3   78.8   46.5     -40.4  ensemble1
   8     272.5  107.1  139.4     -83.3  ensemble1
   9      27.9   85.7   48.8     -62.8  ensemble1

      0 trial orientations in initial search
      9 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #23 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.8 +TNCS PAK=3 LLG=-3
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC -0.33  0.26  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  129.5   74.1   49.1 FRAC -0.33 -0.24  0.03 BFAC
    25.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  4.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 131.457 74.235 47.410

   This TF set has 3 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     308.8   98.1  231.6     -49.1  ensemble1
   2     272.3  106.4  139.1     -87.7  ensemble1
   3     131.5   74.2   47.4     -69.5  ensemble1

      0 trial orientations in initial search
      3 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #24 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.295  110.814  224.930 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.331  110.866  224.587 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.270   85.470  233.506 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.986  161.821  297.081 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.303   67.240   41.636 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.440  144.687  264.439 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.258   59.881  205.743 RFZ  2.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 271.733 105.351 136.910
         #2 192.883 128.303 349.747

   This TF set has 18 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -55.1  ensemble1
   2     206.1   65.5  208.5     -58.3  ensemble1
   3      29.8   97.7  232.6     -69.8  ensemble1
   4     147.2  112.3   28.6     -69.3  ensemble1
   5       5.3  110.8  224.9     -87.8  ensemble1
   6      29.3  110.9  224.6     -77.6  ensemble1
   7     271.9   76.8  205.7     -77.7  ensemble1
   8      20.2  100.2  223.8     -76.5  ensemble1
   9     278.3   85.5  233.5     -75.3  ensemble1
   10    224.5   53.0  166.9     -69.2  ensemble1
   11    262.0  161.8  297.1     -83.7  ensemble1
   12     54.3   67.2   41.6     -76.9  ensemble1
   13    225.7  100.3   28.7     -78.5  ensemble1
   14    194.2  100.0  224.5     -76.7  ensemble1
   15     42.4  144.7  264.4     -78.5  ensemble1
   16    273.3   59.9  205.7     -83.0  ensemble1
   17    271.7  105.4  136.9    -109.7  ensemble1
   18    192.9  128.3  349.7     -50.9  ensemble1

      0 trial orientations in initial search
      18 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #25 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=5.0 +TNCS PAK=2 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.675  106.622   18.451 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.076   12.762  167.011 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.84
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.197 107.070 139.171
         #2 30.428 84.200 49.243

   This TF set has 19 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     146.7  145.7    8.4     -58.5  ensemble1
   2      43.7   78.4   44.5     -33.8  ensemble1
   3     105.5   19.6  155.5     -51.7  ensemble1
   4     163.2   59.5  168.2     -49.1  ensemble1
   5     317.5   52.6  166.9     -54.7  ensemble1
   6     218.3   78.8   46.5     -53.8  ensemble1
   7      50.6   52.3  166.8     -50.5  ensemble1
   8      91.7   68.2  286.4     -61.7  ensemble1
   9      46.7  106.6   18.5     -53.4  ensemble1
   10    206.1   65.5  208.5     -37.1  ensemble1
   11    200.3  130.2  358.6     -75.7  ensemble1
   12    290.1   12.8  167.0     -56.2  ensemble1
   13    155.5  128.9  358.5     -61.3  ensemble1
   14    126.1  101.8   24.9     -57.6  ensemble1
   15     42.6  130.9  358.7     -61.2  ensemble1
   16     29.8   97.7  232.6     -37.7  ensemble1
   17    271.9   76.8  205.7     -43.0  ensemble1
   18    273.2  107.1  139.2     -83.3  ensemble1
   19     30.4   84.2   49.2     -36.5  ensemble1

      0 trial orientations in initial search
      19 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #26 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=16 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.9   72.5   50.3 FRAC  0.45  1.21  0.27 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER   37.4   72.7   49.0 FRAC -0.21  0.73 -0.07 BFAC
    25.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  285.230   46.312  166.604 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.942  130.775  344.585 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.508  119.830  111.970 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.197 107.070 139.171
         #2 275.863 72.535 50.265

   This TF set has 15 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     155.8   50.6  166.7     -54.2  ensemble1
   2     200.3  130.2  358.6     -45.9  ensemble1
   3      50.6   52.3  166.8     -44.2  ensemble1
   4      29.8   97.7  232.6     -47.7  ensemble1
   5     163.2   59.5  168.2     -41.7  ensemble1
   6     308.8   98.1  231.6     -50.3  ensemble1
   7     285.2   46.3  166.6     -56.4  ensemble1
   8     147.2  112.3   28.6     -59.6  ensemble1
   9     224.5   53.0  166.9     -53.9  ensemble1
   10     14.1  123.6  345.6     -53.6  ensemble1
   11     91.9  130.8  344.6     -61.8  ensemble1
   12    317.5  119.8  112.0     -70.0  ensemble1
   13    194.2  100.0  224.5     -53.9  ensemble1
   14    273.2  107.1  139.2     -86.1  ensemble1
   15    275.9   72.5   50.3     -81.5  ensemble1

      0 trial orientations in initial search
      15 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #27 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2 LLG=-6
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.184   63.445  315.271 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.644   74.512  295.687 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.684  110.133  120.028 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.92
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.197 107.070 139.171
         #2 32.671 73.682 46.943

   This TF set has 9 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      29.8   97.7  232.6     -44.9  ensemble1
   2      10.2   63.4  315.3     -43.9  ensemble1
   3     163.2   59.5  168.2     -45.8  ensemble1
   4     317.5   52.6  166.9     -54.3  ensemble1
   5     196.6   74.5  295.7     -67.1  ensemble1
   6     102.7  110.1  120.0     -58.3  ensemble1
   7     200.3  130.2  358.6     -43.2  ensemble1
   8     273.2  107.1  139.2     -95.0  ensemble1
   9      32.7   73.7   46.9     -59.9  ensemble1

      0 trial orientations in initial search
      9 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #28 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=4.7 +TNCS PAK=0 LLG=-6
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.850   89.545   45.433 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.406   37.258   91.770 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.537   68.732  217.189 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.795  111.374  219.733 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.408  103.967   21.508 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.430   99.590  206.032 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.138   89.901  212.494 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.175   78.096   42.558 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.420   88.568   40.224 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.252   88.777  206.901 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.896   74.821  202.467 RFZ  2.44
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 270.243 104.508 135.799
         #2 192.983 131.251 348.650

   This TF set has 26 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1      29.8   97.7  232.6     -36.8  ensemble1
   ----- angles below here for deep search only -----
   2     163.2   59.5  168.2     -44.7  ensemble1
   3     271.9   76.8  205.7     -58.9  ensemble1
   4     225.7  100.3   28.7     -64.0  ensemble1
   5      33.9   89.5   45.4     -56.6  ensemble1
   6     190.1   36.1   89.9     -58.6  ensemble1
   7      43.7   78.4   44.5     -46.4  ensemble1
   8      14.4   37.3   91.8     -57.3  ensemble1
   9      10.1   76.8  205.7     -49.3  ensemble1
   10    224.5   53.0  166.9     -53.9  ensemble1
   11     27.5   68.7  217.2     -72.3  ensemble1
   12      5.8  111.4  219.7     -67.7  ensemble1
   13    308.8   98.1  231.6     -59.8  ensemble1
   14    219.0  110.1   33.0     -59.4  ensemble1
   15    146.4  104.0   21.5     -61.6  ensemble1
   16    267.4   99.6  206.0     -63.7  ensemble1
   17    262.1   89.9  212.5     -63.0  ensemble1
   18    229.2   78.1   42.6     -67.1  ensemble1
   19    212.4   88.6   40.2     -65.9  ensemble1
   20    126.1  101.8   24.9     -58.3  ensemble1
   21    236.7   51.6  166.8     -50.6  ensemble1
   22    241.3   88.8  206.9     -78.2  ensemble1
   23     20.2  100.2  223.8     -61.1  ensemble1
   24     87.9   74.8  202.5     -58.0  ensemble1
   25    270.2  104.5  135.8     -77.3  ensemble1
   26    193.0  131.3  348.7     -34.2  ensemble1

      1 trial orientations in initial search
      25 trial orientations in deep search


   Scoring 520 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #28 of 38
   0%             100%
   |==============| DONE

   Mean Score (Sigma):       -400.04   (40.76)

   SET #28 of 38 TRIAL #1 of 1
   ---------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.351  0.363  0.114     10.787  4.94
   2      0.344  0.356  0.113      7.196  4.81
   3      0.172  0.510  0.975      0.187  4.57
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #28 of 38 TRIAL #1 of 1
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.172  0.510  0.975    -245.21  4.57   0.0      1     0.1870/    0.1870
   2      0.351  0.363  0.114    -254.15  4.94  21.1      2    10.7869/   10.7869
   3      0.687  0.625  0.887    -262.16  4.42  28.7      1    -4.0780/   -4.0780
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #29 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0 LLG=-6
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  4.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 28.260 88.343 44.824

   This TF set has 3 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      50.6   52.3  166.8     -60.7  ensemble1
   2     272.3  106.4  139.1     -84.0  ensemble1
   3      28.3   88.3   44.8     -34.5  ensemble1

      0 trial orientations in initial search
      3 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #30 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.1 +TNCS PAK=3 LLG=-6
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  238.8  158.5    1.2 FRAC  0.38  1.18  0.30 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  357.2  160.8  359.6 FRAC -0.18  0.70 -0.03 BFAC
    24.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   47.431   51.079  220.363 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.767   75.249  320.815 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  3.02
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.004 106.912 138.421
         #2 238.848 158.541  1.159

   This TF set has 8 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     308.8   98.1  231.6     -56.0  ensemble1
   2      43.7   78.4   44.5     -56.1  ensemble1
   3      47.4   51.1  220.4     -62.4  ensemble1
   4     334.8   75.2  320.8     -78.9  ensemble1
   5      29.8   97.7  232.6     -56.6  ensemble1
   6     102.1   15.0  161.6     -59.6  ensemble1
   7     272.0  106.9  138.4     -84.4  ensemble1
   8     238.8  158.5    1.2     -80.2  ensemble1

      0 trial orientations in initial search
      8 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #31 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13 LLG=-7
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.270   85.470  233.506 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.184   63.445  315.271 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.382   21.469  189.549 RFZ  2.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.540 107.143 139.391
         #2 38.388 80.525 49.542

   This TF set has 15 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     163.2   59.5  168.2     -49.4  ensemble1
   2     224.5   53.0  166.9     -52.9  ensemble1
   3      29.8   97.7  232.6     -46.8  ensemble1
   4      20.2  100.2  223.8     -52.3  ensemble1
   5     308.8   98.1  231.6     -35.1  ensemble1
   6     146.7  145.7    8.4     -54.0  ensemble1
   7     147.2  112.3   28.6     -53.7  ensemble1
   8     271.9   76.8  205.7     -58.5  ensemble1
   9     278.3   85.5  233.5     -59.2  ensemble1
   10     10.1   76.8  205.7     -58.9  ensemble1
   11     34.1  112.7   28.1     -50.0  ensemble1
   12    298.2   63.4  315.3     -75.8  ensemble1
   13    159.4   21.5  189.5     -68.6  ensemble1
   14    272.5  107.1  139.4     -93.5  ensemble1
   15     38.4   80.5   49.5     -45.1  ensemble1

      0 trial orientations in initial search
      15 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #32 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=4.8 +TNCS PAK=0 LLG=-8
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.273   42.333  167.013 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.657  124.915  358.442 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.851  140.979    3.191 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.905   48.724  180.848 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.811   49.388  180.712 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  350.262  128.827   28.369 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.254   54.274  167.096 RFZ  2.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.197 107.070 139.171
         #2 28.789 88.765 45.315

   This TF set has 28 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      50.6   52.3  166.8     -51.0  ensemble1
   2     308.8   98.1  231.6     -43.5  ensemble1
   3      43.7   78.4   44.5     -49.8  ensemble1
   4     321.3   42.3  167.0     -64.4  ensemble1
   5     236.7   51.6  166.8     -57.4  ensemble1
   6     266.7   13.0  166.2     -57.3  ensemble1
   7      21.7  124.9  358.4     -59.8  ensemble1
   8     200.3  130.2  358.6     -52.5  ensemble1
   9     292.3   78.3  209.1     -54.9  ensemble1
   10     42.9  141.0    3.2     -60.0  ensemble1
   11    146.7  145.7    8.4     -44.2  ensemble1
   12    206.1   65.5  208.5     -48.3  ensemble1
   13    108.3   76.8  205.7     -54.5  ensemble1
   14     34.9   48.7  180.8     -68.5  ensemble1
   15    135.3   43.0  166.9     -63.1  ensemble1
   16    194.2   78.3  209.1     -50.9  ensemble1
   17    209.5  117.0   24.8     -56.6  ensemble1
   18    155.8   50.6  166.7     -53.4  ensemble1
   19     99.0   35.2  190.7     -52.0  ensemble1
   20     91.7   68.2  286.4     -61.7  ensemble1
   21    219.0  110.1   33.0     -56.6  ensemble1
   22    225.7  100.3   28.7     -49.0  ensemble1
   23    194.2  100.0  224.5     -52.3  ensemble1
   24     79.8   49.4  180.7     -70.8  ensemble1
   25    350.3  128.8   28.4     -50.0  ensemble1
   26    212.3   54.3  167.1     -61.5  ensemble1
   27    273.2  107.1  139.2     -97.1  ensemble1
   28     28.8   88.8   45.3     -62.9  ensemble1

      0 trial orientations in initial search
      28 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #33 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4 LLG=-8
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.903   79.295   48.455 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.252   88.777  206.901 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.519   79.862   50.372 RFZ  3.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.985   78.288  209.145 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.142  100.221  223.486 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.290  121.674  346.058 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.277  109.306  132.503 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.258   42.003  167.071 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.339   13.869  164.035 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.977   66.124  287.371 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.262   34.019  192.751 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.930   61.905  289.305 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.382   21.469  189.549 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.208  163.714  333.602 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.311   79.664   49.736 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.646  111.527  108.057 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.313  138.565    1.491 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.002   22.397  153.462 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.604   68.215  286.381 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  233.372   88.414   34.263 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.137   47.641  166.575 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.070   60.161  168.357 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.726   51.296  166.734 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.608  100.763  218.106 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.479   89.423  209.509 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.576   99.036  228.743 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.459   89.043  207.873 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.903   33.352  194.114 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.438  102.607  141.254 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.942  130.775  344.585 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.484  122.961  345.752 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.324   64.020  288.345 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.566   24.392  181.358 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.934  109.721   15.844 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.375  115.010  136.212 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.107   23.187  184.199 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.536   88.435   33.932 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.870   22.293  186.746 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.969   89.122   29.010 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.099   33.139  194.586 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.208  163.714  333.602 RFZ  2.08
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 28.941 93.116 229.910

   This TF set has 72 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1     163.2   59.5  168.2     -44.4  ensemble1
   2      32.9   79.3   48.5     -60.1  ensemble1
   3     219.0  110.1   33.0     -46.0  ensemble1
   4     308.8   98.1  231.6     -36.5  ensemble1
   5     200.3  130.2  358.6     -42.7  ensemble1
   6     206.1   65.5  208.5     -43.8  ensemble1
   ----- angles below here for deep search only -----
   7     241.3   88.8  206.9     -56.9  ensemble1
   8     207.5   79.9   50.4     -50.5  ensemble1
   9     292.3   78.3  209.1     -42.8  ensemble1
   10     96.0   78.3  209.1     -55.5  ensemble1
   11     99.0   35.2  190.7     -45.9  ensemble1
   12    194.2   78.3  209.1     -45.6  ensemble1
   13    113.1  100.2  223.5     -47.3  ensemble1
   14    146.7  145.7    8.4     -43.3  ensemble1
   15    155.8   50.6  166.7     -45.7  ensemble1
   16    189.3  121.7  346.1     -48.6  ensemble1
   17    104.3  109.3  132.5     -45.0  ensemble1
   18    108.3   76.8  205.7     -44.2  ensemble1
   19     54.3   42.0  167.1     -43.4  ensemble1
   20    196.3   13.9  164.0     -61.8  ensemble1
   21    105.5   19.6  155.5     -49.6  ensemble1
   22     34.1  112.7   28.1     -51.2  ensemble1
   23    209.5  117.0   24.8     -45.6  ensemble1
   24    270.0   66.1  287.4     -63.5  ensemble1
   25    225.7  100.3   28.7     -46.5  ensemble1
   26    271.9   76.8  205.7     -53.8  ensemble1
   27     14.1  123.6  345.6     -42.3  ensemble1
   28    345.3   34.0  192.8     -50.2  ensemble1
   29    214.9   61.9  289.3     -58.1  ensemble1
   30    135.3   43.0  166.9     -45.5  ensemble1
   31    159.4   21.5  189.5     -62.5  ensemble1
   32    119.2  163.7  333.6     -41.6  ensemble1
   33    149.3   79.7   49.7     -60.7  ensemble1
   34     10.1   76.8  205.7     -67.8  ensemble1
   35    139.6  111.5  108.1     -56.0  ensemble1
   36    190.1   36.1   89.9     -69.0  ensemble1
   37     91.7   68.2  286.4     -45.9  ensemble1
   38    312.3  138.6    1.5     -61.5  ensemble1
   39    250.0   22.4  153.5     -51.7  ensemble1
   40    158.6  141.2   29.7     -51.4  ensemble1
   41    194.6   68.2  286.4     -63.4  ensemble1
   42    126.1  101.8   24.9     -55.9  ensemble1
   43    233.4   88.4   34.3     -58.8  ensemble1
   44     42.6  130.9  358.7     -45.0  ensemble1
   45    147.2  112.3   28.6     -50.4  ensemble1
   46    273.1   47.6  166.6     -58.9  ensemble1
   47    337.1   60.2  168.4     -50.6  ensemble1
   48    317.5   52.6  166.9     -45.2  ensemble1
   49    329.7   51.3  166.7     -49.0  ensemble1
   50    160.6  100.8  218.1     -66.7  ensemble1
   51     60.5   89.4  209.5     -53.1  ensemble1
   52     65.6   99.0  228.7     -53.0  ensemble1
   53    308.5   89.0  207.9     -59.5  ensemble1
   54    276.9   33.4  194.1     -52.0  ensemble1
   55    313.4  102.6  141.3     -72.5  ensemble1
   56     91.9  130.8  344.6     -53.2  ensemble1
   57     72.5  123.0  345.8     -48.2  ensemble1
   58     32.4   63.5  206.9     -52.9  ensemble1
   59    345.3   64.0  288.3     -57.3  ensemble1
   60     37.6   24.4  181.4     -60.4  ensemble1
   61    306.9  109.7   15.8     -67.3  ensemble1
   62    229.4  115.0  136.2     -71.1  ensemble1
   63    140.1   23.2  184.2     -60.7  ensemble1
   64    155.5  128.9  358.5     -50.9  ensemble1
   65    154.5   88.4   33.9     -76.8  ensemble1
   66    224.5   53.0  166.9     -37.9  ensemble1
   67    149.9   22.3  186.7     -73.2  ensemble1
   68     52.0   89.1   29.0     -58.6  ensemble1
   69    254.1   33.1  194.6     -62.4  ensemble1
   70    311.2  163.7  333.6     -49.3  ensemble1
   71    272.3  106.4  139.1     -67.5  ensemble1
   72     28.9   93.1  229.9     -40.7  ensemble1

      6 trial orientations in initial search
      66 trial orientations in deep search


   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #33 of 38
   0%                                    100%
   |=====================================| DONE

   Mean Score (Sigma):       -379.58   (35.19)

   SET #33 of 38 TRIAL #1 of 6
   ---------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.879  0.268  0.785     21.040  4.88
   2      0.937  0.715  0.895      7.652  4.39
   3      0.938  0.217  0.893      6.633  4.35
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #1 of 6
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.937  0.715  0.895    -235.14  4.39   0.0      1     7.6522/    7.6522
   2      0.879  0.268  0.785    -237.34  4.88  23.4      1    21.0396/   21.0396
   3      0.938  0.217  0.893    -239.73  4.35  29.2      1     6.6329/    6.6329
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #33 of 38 TRIAL #2 of 6
   ---------------------------
   Ensemble ensemble1 Euler  32.90  79.30  48.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.167  0.210  0.038     20.649  5.20
   2      0.393  0.212  0.084     -0.525  4.43
   3      0.195  0.807  0.996     -2.486  4.36

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #2 of 6
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.167  0.210  0.038    -239.52  5.20   0.0      1     20.649/    20.649
   2      0.195  0.807  0.996    -249.75  4.36  24.8      1     -2.486/    -2.486
   3      0.393  0.212  0.084    -254.58  4.43  13.9      1     -0.525/    -0.525

   SET #33 of 38 TRIAL #3 of 6
   ---------------------------
   Ensemble ensemble1 Euler 219.04 110.14  32.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.354  0.594  0.070     16.339  5.10
   2      0.588  0.995  0.956     14.972  5.05
   3      0.904  0.767  0.813      6.730  4.76
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #3 of 6
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.904  0.767  0.813    -219.38  4.76   0.0      1     6.7301/    6.7301
   2      0.467  0.389  0.130    -223.21  4.55  14.4      1     0.8732/    0.8732
   3      0.588  0.995  0.956    -230.33  5.05  30.8      1    14.9722/   14.9722
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #33 of 38 TRIAL #4 of 6
   ---------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.098  0.476  0.867     16.111  4.81
   2      0.780  0.295  0.776     13.278  4.70
   3      0.330  0.991  0.958      8.572  4.53
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #4 of 6
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.098  0.476  0.867    -213.39  4.81   0.0      1     16.111/    16.111
   2      0.780  0.295  0.776    -229.15  4.70  18.3      1     13.278/    13.278
   3      0.483  0.995  0.046    -240.50  4.42  27.3      1      5.599/     5.599
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #33 of 38 TRIAL #5 of 6
   ---------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.703  0.999  0.912     19.589  5.10
   2      0.799  0.597  0.124     11.251  4.81
   3      0.802  0.100  0.124      8.039  4.70
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #5 of 6
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.703  0.999  0.912    -223.31  5.10   0.0      1     19.589/    19.589
   2      0.047  0.444  0.188    -233.40  4.64  17.6      1      6.181/     6.181
   3      0.058  0.945  0.192    -240.63  4.48  13.7      1      1.668/     1.668
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #33 of 38 TRIAL #6 of 6
   ---------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.073  0.310  0.087     16.068  4.77
   2      0.225  0.310  0.010     11.490  4.60
   3      0.083  0.320  0.087      6.453  4.42
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #6 of 6
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.073  0.310  0.087    -233.49  4.77   0.0      2     16.068/    16.068
   2      0.225  0.310  0.010    -247.27  4.60  11.5      1     11.490/    11.490
   3      0.682  0.204  0.090    -248.34  4.27  20.5      1      2.298/     2.298
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES


------------------------------
TRANSLATION FUNCTION #34 OF 38
------------------------------

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.2 TFZ=5.4 +TNCS PAK=2 LLG=-10
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.34
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 273.197 107.070 139.171
         #2 352.405 158.913 356.611

   This TF set has 7 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -29.6  ensemble1
   2      29.8   97.7  232.6     -58.9  ensemble1
   3     308.8   98.1  231.6     -29.1  ensemble1
   4     147.2  112.3   28.6     -43.7  ensemble1
   5     200.3  130.2  358.6     -30.1  ensemble1
   6     273.2  107.1  139.2     -83.5  ensemble1
   7     352.4  158.9  356.6     -49.8  ensemble1

      0 trial orientations in initial search
      7 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #35 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2 LLG=-10
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.10
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 187.322 127.720 341.737

   This TF set has 3 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1      43.7   78.4   44.5     -45.2  ensemble1
   2     272.3  106.4  139.1     -93.2  ensemble1
   3     187.3  127.7  341.7     -65.9  ensemble1

      0 trial orientations in initial search
      3 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #36 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.0 +TNCS PAK=2 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.850   89.545   45.433 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.406   37.258   91.770 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.896   74.821  202.467 RFZ  2.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 188.937 126.071 343.410

   This TF set has 14 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     163.2   59.5  168.2     -51.1  ensemble1
   2      43.7   78.4   44.5     -47.3  ensemble1
   3     292.3   78.3  209.1     -75.0  ensemble1
   4     271.9   76.8  205.7     -60.9  ensemble1
   5      29.8   97.7  232.6     -65.3  ensemble1
   6      33.9   89.5   45.4     -61.0  ensemble1
   7     102.1   15.0  161.6     -79.8  ensemble1
   8     224.5   53.0  166.9     -75.6  ensemble1
   9     190.1   36.1   89.9     -74.1  ensemble1
   10     14.4   37.3   91.8     -78.0  ensemble1
   11    209.5  117.0   24.8     -65.9  ensemble1
   12     87.9   74.8  202.5     -84.7  ensemble1
   13    272.3  106.4  139.1    -101.4  ensemble1
   14    188.9  126.1  343.4     -87.9  ensemble1

      0 trial orientations in initial search
      14 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #37 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.3 +TNCS PAK=0 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.196  141.273    3.435 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.858   50.300  166.658 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.985   78.288  209.145 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.097  125.909  358.401 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  357.803   78.288  209.145 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.567   38.124  186.862 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.820   14.153  163.376 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.118   15.901  160.014 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.291 106.419 139.087
         #2 18.167 103.980 219.523

   This TF set has 28 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   ----- angles below here for deep search only -----
   1     266.7   13.0  166.2     -57.3  ensemble1
   2     240.2   41.3  167.2     -62.0  ensemble1
   3     206.1   65.5  208.5     -48.8  ensemble1
   4     324.2  141.3    3.4     -47.9  ensemble1
   5     155.8   50.6  166.7     -62.8  ensemble1
   6     146.7  145.7    8.4     -53.8  ensemble1
   7      50.6   52.3  166.8     -65.0  ensemble1
   8     248.9   50.3  166.7     -73.0  ensemble1
   9      96.0   78.3  209.1     -65.3  ensemble1
   10    126.1  101.8   24.9     -51.5  ensemble1
   11    145.1  125.9  358.4     -71.9  ensemble1
   12     34.1  112.7   28.1     -56.7  ensemble1
   13    194.2  100.0  224.5     -63.1  ensemble1
   14    357.8   78.3  209.1     -61.0  ensemble1
   15    194.2   78.3  209.1     -48.4  ensemble1
   16    292.3   78.3  209.1     -37.0  ensemble1
   17     32.4   63.5  206.9     -53.5  ensemble1
   18    219.0  110.1   33.0     -51.4  ensemble1
   19    348.6   38.1  186.9     -59.3  ensemble1
   20    147.2  112.3   28.6     -48.7  ensemble1
   21    172.8   14.2  163.4     -68.3  ensemble1
   22     99.0   35.2  190.7     -61.6  ensemble1
   23    200.3  130.2  358.6     -59.8  ensemble1
   24    271.9   76.8  205.7     -38.1  ensemble1
   25     31.1   15.9  160.0     -59.7  ensemble1
   26     10.1   76.8  205.7     -49.8  ensemble1
   27    272.3  106.4  139.1     -89.9  ensemble1
   28     18.2  104.0  219.5     -39.7  ensemble1

      0 trial orientations in initial search
      28 trial orientations in deep search

------------------------------
TRANSLATION FUNCTION #38 OF 38
------------------------------

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  3.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.258   59.881  205.743 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.184   63.445  315.271 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  350.262  128.827   28.369 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.078   78.133   86.452 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.958   92.732   53.422 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.115  130.975   34.625 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.126  125.361  143.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.078   74.821  202.467 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.403   91.282   50.440 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.311   79.664   49.736 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.273   42.333  167.013 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.985   78.288  209.145 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.653  129.465  344.692 RFZ  2.47
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67


   Add Unique Known Orientations to Rotation List
      4 known positions had 2 unique orientations for ensemble "ensemble1"
         #1 272.262 105.870 137.302
         #2 189.872 128.701 346.116

   This TF set has 32 trial orientations


   #    Euler                  Rot-LLG  Ensemble
   1      43.7   78.4   44.5     -50.0  ensemble1
   2     292.3   78.3  209.1     -45.5  ensemble1
   3     206.1   65.5  208.5     -36.7  ensemble1
   4     273.3   59.9  205.7     -50.4  ensemble1
   5     225.7  100.3   28.7     -51.5  ensemble1
   6     308.8   98.1  231.6     -49.5  ensemble1
   7      50.6   52.3  166.8     -42.5  ensemble1
   8     102.1   15.0  161.6     -51.2  ensemble1
   ----- angles below here for deep search only -----
   9      32.4   63.5  206.9     -45.6  ensemble1
   10    194.2   78.3  209.1     -45.5  ensemble1
   11    218.3   78.8   46.5     -47.6  ensemble1
   12    224.5   53.0  166.9     -63.7  ensemble1
   13    190.1   36.1   89.9     -62.9  ensemble1
   14     10.2   63.4  315.3     -54.7  ensemble1
   15    126.1  101.8   24.9     -43.7  ensemble1
   16    350.3  128.8   28.4     -61.1  ensemble1
   17    155.5  128.9  358.5     -43.9  ensemble1
   18    236.7   51.6  166.8     -45.5  ensemble1
   19    202.1   78.1   86.5     -62.7  ensemble1
   20    284.0   92.7   53.4     -71.2  ensemble1
   21    147.2  112.3   28.6     -45.9  ensemble1
   22    171.1  131.0   34.6     -56.3  ensemble1
   23    318.1  125.4  144.0     -71.7  ensemble1
   24    186.1   74.8  202.5     -62.0  ensemble1
   25    215.4   91.3   50.4     -50.7  ensemble1
   26    149.3   79.7   49.7     -49.0  ensemble1
   27    321.3   42.3  167.0     -53.3  ensemble1
   28    266.7   13.0  166.2     -33.5  ensemble1
   29     96.0   78.3  209.1     -43.5  ensemble1
   30    208.7  129.5  344.7     -62.9  ensemble1
   31    272.3  105.9  137.3     -86.5  ensemble1
   32    189.9  128.7  346.1     -29.0  ensemble1

      8 trial orientations in initial search
      24 trial orientations in deep search


   Scoring 512 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #38 of 38
   0%                100%
   |=================| DONE

   Mean Score (Sigma):       -372.19   (37.00)

   SET #38 of 38 TRIAL #1 of 8
   ---------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 56 sites over 67.5% of top
   56 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.491  0.021  0.114     39.537  4.86
   2      0.941  0.642  0.917     32.760  4.61
   3      0.953  0.654  0.918     31.709  4.57
   #Sites = 56: output truncated to 3 sites

   Top 56 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #1 of 8
   0%                            100%
   |=============================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 34 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.491  0.021  0.114    -212.02  4.86   0.0      2     39.537/    39.537
   2      0.541  0.720  0.020    -213.70  4.43  21.3      1     27.848/    27.848
   3      0.953  0.256  0.192    -221.50  4.11  24.6      2     18.967/    25.229
   #SITES = 34: OUTPUT TRUNCATED TO 3 SITES

   SET #38 of 38 TRIAL #2 of 8
   ---------------------------
   Ensemble ensemble1 Euler 292.35  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 20 sites over 67.5% of top
   20 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.877  0.900  0.004     25.205  4.86
   2      0.885  0.908  0.005     23.779  4.81
   3      0.274  0.456  0.135     22.914  4.77
   #Sites = 20: output truncated to 3 sites

   Top 20 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #2 of 8
   0%          100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 15 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.274  0.456  0.135    -217.91  4.77   0.0      1     22.914/    22.914
   2      0.462  0.612  0.013    -223.79  4.24  15.4      1      7.974/     7.974
   3      0.668  0.239  0.078    -223.82  4.32  31.6      1     10.250/    10.250
   #SITES = 15: OUTPUT TRUNCATED TO 3 SITES

   SET #38 of 38 TRIAL #3 of 8
   ---------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.871  0.027  0.083     21.179  4.51
   2      0.166  0.181  0.092     17.118  4.36
   3      0.798  0.418  0.028     15.648  4.31
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #3 of 8
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.166  0.181  0.092    -232.16  4.36   0.0      1     17.118/    17.118
   2      0.871  0.027  0.083    -233.94  4.51  15.0      1     21.179/    21.179
   3      0.405  0.145  0.950    -235.87  4.16  20.2      1     11.491/    11.491
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #38 of 38 TRIAL #4 of 8
   ---------------------------
   Ensemble ensemble1 Euler 273.26  59.88 205.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.189  0.466  0.236     22.930  5.05
   2      0.526  0.078  0.880     13.844  4.73
   3      0.181  0.458  0.233     13.821  4.73
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #4 of 8
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.754  0.086  0.215    -231.98  4.18   0.0      1    -1.7464/   -1.7464
   2      0.522  0.074  0.880    -236.24  4.72  18.4      2    13.6963/   13.8440
   3      0.189  0.466  0.236    -236.33  5.05  24.1      2    22.9302/   22.9302
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #38 of 38 TRIAL #5 of 8
   ---------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.856  0.375  0.575     8.1931  4.15
   2      0.679  0.586  0.031     8.0669  4.14
   3      0.921  0.697  0.736     7.2895  4.12
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #5 of 8
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.679  0.586  0.031    -226.94  4.14   0.0      1     8.0669/    8.0669
   2      0.921  0.697  0.736    -230.48  4.12  22.0      1     7.2895/    7.2895
   3      0.298  0.989  0.253    -237.52  4.09  12.3      2     6.5048/    6.5048
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #38 of 38 TRIAL #6 of 8
   ---------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.340  0.424  0.982     38.096  5.43
   2      0.344  0.932  0.981     25.057  4.96
   3      0.937  0.507  0.251     19.457  4.76
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #6 of 8
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.340  0.424  0.982    -202.07  5.43   0.0      1     38.096/    38.096
   2      0.344  0.932  0.981    -219.92  4.96  28.9      1     25.057/    25.057
   3      0.937  0.507  0.251    -220.25  4.76  30.8      1     19.457/    19.457
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #38 of 38 TRIAL #7 of 8
   ---------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 19 sites over 67.5% of top
   19 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.185  0.431  0.918     28.765  5.10
   2      0.497  0.115  0.950     18.096  4.71
   3      0.495  0.113  0.951     14.550  4.58
   #Sites = 19: output truncated to 3 sites

   Top 19 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #7 of 8
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.185  0.431  0.918    -213.54  5.10   0.0      1     28.765/    28.765
   2      0.902  0.598  0.075    -221.28  4.30  27.4      1      6.792/     6.792
   3      0.904  0.092  0.076    -227.22  4.51  23.6      1     12.757/    12.757
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #38 of 38 TRIAL #8 of 8
   ---------------------------
   Ensemble ensemble1 Euler 102.09  15.02 161.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.616  0.447  0.970     15.977  4.59
   2      0.608  0.439  0.969     13.146  4.48
   3      0.595  0.011  0.122      5.435  4.20
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #8 of 8
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.208  0.730  0.333    -230.17  4.17   0.0      1     4.6219/    4.6219
   2      0.608  0.439  0.969    -234.71  4.48  23.8      2    13.1457/   15.9770
   3      0.595  0.011  0.122    -260.59  4.20  16.2      1     5.4348/    5.4348
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES


-------------------------
DEEP TRANSLATION FUNCTION
-------------------------

   Best TFZ is NOT over Z-score cutoff for definite solution (8.00)
   Search deep in trial orientation list

----------------------------------
DEEP TRANSLATION FUNCTION #1 OF 38
----------------------------------

   2 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170 RF++ TFZ=19.9 +TNCS PAK=0 LLG=61
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  276.4  107.3  137.7 FRAC -0.24  0.27  0.00 BFAC
    20.36
   SOLU 6DIM ENSE ensemble1 EULER  153.1  106.8  139.7 FRAC  0.02  0.24  0.33 BFAC
    20.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.131  104.058  136.899 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #1 of 38
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -400.80   (62.43)

   SET #1 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.386  0.503  0.302     15.725  4.96

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #1 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.386  0.503  0.302    -218.64  4.96   0.0      1     15.725/    15.725

   SET #1 of 38 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 271.13 104.06 136.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------------
DEEP TRANSLATION FUNCTION #2 OF 38
----------------------------------

   10 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=60
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.5  138.9 FRAC  0.76  1.27 -0.00 BFAC
    21.83
   SOLU 6DIM ENSE ensemble1 EULER   37.8  106.3  137.0 FRAC  0.24  0.99 -0.34 BFAC
    21.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.463  107.226  118.433 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.004  106.912  138.421 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #2 of 38
   0%     100%
   |======| DONE

   Mean Score (Sigma):       -356.13   (42.90)

   SET #2 of 38 TRIAL #1 of 10 (TRIAL #1 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.148  0.543  0.988     26.082  4.71
   2      0.146  0.037  0.986     22.618  4.57
   3      0.135  0.031  0.988     18.596  4.40
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #1 of 10 (TRIAL #1 of 10 deep)
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.202  0.683  0.991    -203.11  4.19   0.0      1     13.668/    13.668
   2      0.272  0.363  0.423    -206.61  4.31  23.5      2     16.571/    16.571
   3      0.146  0.037  0.986    -207.71  4.57  22.6      2     22.618/    22.618
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 38 TRIAL #2 of 10 (TRIAL #2 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler  99.02  35.21 190.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.334  0.604  0.342     13.562  4.51
   2      0.335  0.098  0.347     13.046  4.49
   3      0.332  0.094  0.348     10.960  4.41
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #2 of 10 (TRIAL #2 of 10 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.335  0.098  0.347    -207.43  4.49   0.0      2     13.046/    13.046
   2      0.334  0.604  0.342    -213.15  4.51  28.9      1     13.562/    13.562
   3      0.987  0.953  0.355    -216.65  4.23  17.7      2      6.700/     9.401
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 38 TRIAL #3 of 10 (TRIAL #3 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.938  0.947  0.342     7.7895  4.23
   2      0.934  0.942  0.342     6.8150  4.19
   3      0.372  0.743  0.208     6.3697  4.17

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #3 of 10 (TRIAL #3 of 10 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.372  0.743  0.208    -204.73  4.17   0.0      1     6.3697/    6.3697
   2      0.934  0.942  0.342    -220.12  4.19  31.6      2     6.8150/    7.7895

   SET #2 of 38 TRIAL #4 of 10 (TRIAL #4 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.537  0.572  0.364     15.482  4.89
   2      0.535  0.072  0.362     13.242  4.80
   3      0.219  0.194  0.365      9.782  4.66
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #4 of 10 (TRIAL #4 of 10 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.219  0.194  0.365    -199.47  4.66   0.0      1     9.7815/    9.7815
   2      0.537  0.572  0.364    -205.28  4.89  20.6      2    15.4820/   15.4820
   3      0.537  0.075  0.361    -213.86  4.48  23.0      2     5.5054/   13.2418
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 38 TRIAL #5 of 10 (TRIAL #5 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.513  0.519  0.022     28.602  5.18
   2      0.496  0.206  0.365     20.857  4.86
   3      0.496  0.709  0.362     15.315  4.64
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #5 of 10 (TRIAL #5 of 10 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.496  0.206  0.365    -198.06  4.86   0.0      2     20.857/    20.857
   2      0.496  0.709  0.362    -202.25  4.64  29.1      1     15.315/    15.315
   3      0.650  0.203  0.932    -208.78  4.31  11.9      1      7.343/     7.343
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #2 of 38 TRIAL #6 of 10 (TRIAL #6 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.720  0.462  0.626     3.6694  4.52
   2      0.958  0.822  0.818     2.6175  4.48

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #6 of 10 (TRIAL #6 of 10 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.958  0.822  0.818    -205.03  4.48   0.0      1     2.6175/    2.6175
   2      0.720  0.462  0.626    -215.30  4.52  25.9      1     3.6694/    3.6694

   SET #2 of 38 TRIAL #7 of 10 (TRIAL #7 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #2 of 38 TRIAL #8 of 10 (TRIAL #8 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.333  0.903  0.066     12.724  4.73

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #8 of 10 (TRIAL #8 of 10 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.333  0.903  0.066    -223.13  4.73   0.0      1     12.724/    12.724

   SET #2 of 38 TRIAL #9 of 10 (TRIAL #9 of 10 deep)
   -------------------------------------------------
   Ensemble ensemble1 Euler 106.46 107.23 118.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.141  0.729  0.250     10.371  4.81
   2      0.523  0.450  0.258      3.302  4.52

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #2 of 38 TRIAL #9 of 10 (TRIAL #9 of 10 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.141  0.729  0.250    -202.53  4.81   0.0      1     10.371/    10.371
   2      0.523  0.450  0.258    -205.83  4.52  31.4      1      3.302/     3.302

   SET #2 of 38 TRIAL #10 of 10 (TRIAL #10 of 10 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 272.00 106.91 138.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------------
DEEP TRANSLATION FUNCTION #3 OF 38
----------------------------------

   2 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=57
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  276.5  105.6  140.2 FRAC -0.41  0.43 -0.00 BFAC
    22.16
   SOLU 6DIM ENSE ensemble1 EULER   36.3  107.3  137.4 FRAC  0.06  0.66 -0.34 BFAC
    22.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.028  108.310  140.369 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #3 of 38
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -374.53   (70.81)

   SET #3 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.510  0.106  0.856     16.029  4.64
   2      0.991  0.212  0.987      7.577  4.28
   3      0.339  0.751  0.408      7.336  4.27

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #3 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.510  0.106  0.856    -197.84  4.64   0.0      1     16.029/    16.029
   2      0.339  0.751  0.408    -201.69  4.27  26.0      1      7.336/     7.336
   3      0.991  0.212  0.987    -205.64  4.28  28.4      1      7.577/     7.577

   SET #3 of 38 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 273.03 108.31 140.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------------
DEEP TRANSLATION FUNCTION #4 OF 38
----------------------------------

   3 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.8 +TNCS PAK=0 LLG=53
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  279.2  105.7  138.0 FRAC  0.73  0.58 -0.00 BFAC
    21.42
   SOLU 6DIM ENSE ensemble1 EULER  156.6  105.1  141.3 FRAC  0.36  0.28  0.33 BFAC
    21.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.795  106.998  138.434 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 501 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #4 of 38
   0% 100%
   |===| DONE

   Mean Score (Sigma):       -349.04   (62.36)

   SET #4 of 38 TRIAL #1 of 3 (TRIAL #1 of 3 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -179.03 (TFZ=5.1)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.937  0.917  0.436     33.494  5.15
   2      0.012  0.037  0.946     26.676  4.86
   3      0.944  0.421  0.435     13.638  4.31
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #4 of 38 TRIAL #1 of 3 (TRIAL #1 of 3 deep)
   0%    100%
   |======| DONE


   New Top (ML) Translation Function LLG = -175.92 (TFZ=2.8) at Trial #1

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.937  0.917  0.436    -175.92  5.15   0.0      1     33.494/    33.494
   2      0.944  0.421  0.435    -188.92  4.31  29.3      1     13.638/    13.638
   3      0.030  0.044  0.056    -189.35  4.13   6.0      1      9.313/     9.313
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #4 of 38 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  99.02  35.21 190.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #4 of 38 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 272.80 107.00 138.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------------
DEEP TRANSLATION FUNCTION #5 OF 38
----------------------------------

   41 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=19.7 +TNCS PAK=0 LLG=50
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  288.7  107.1  137.2 FRAC  0.60  0.91 -0.00 BFAC
    25.03
   SOLU 6DIM ENSE ensemble1 EULER  273.6  105.8  139.6 FRAC  0.59  1.45 -0.00 BFAC
    25.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  328.224  168.166  341.260 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.463  107.226  118.433 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.958   92.732   53.422 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  246.489  110.919  107.760 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  228.285   42.664  166.959 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.299   43.325  166.862 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.161  154.261  328.399 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   19.637  135.422  359.951 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  143.630   51.959  166.797 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.408  103.967   21.508 RFZ  2.56
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.969   89.122   29.010 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.858   50.300  166.658 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.016   51.056  180.457 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.074   89.354  209.181 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.161  154.261  328.399 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.986  161.821  297.081 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER   11.207   38.406  186.568 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.008  151.263   23.390 RFZ  2.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.446   89.341   28.040 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  341.899   49.968  166.638 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.489   70.293  285.374 RFZ  2.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.224  168.166  341.260 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.934  109.721   15.844 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER  216.302   43.988  166.780 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER    0.617   56.680  320.105 RFZ  2.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.966   39.048  167.787 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.276  134.056  344.496 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.530   78.288  209.145 RFZ  2.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.137   47.641  166.575 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.606   17.710  157.469 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.921  132.743  344.499 RFZ  2.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER    9.765   25.596  151.990 RFZ  2.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.313  138.565    1.491 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.028  108.310  140.369 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  288.681  107.124  137.180 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 513 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #5 of 38
   0%                            100%
   |==============================| DONE

   Mean Score (Sigma):       -340.48   (33.14)

   SET #5 of 38 TRIAL #17 of 57 (TRIAL #1 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 39 sites over 67.5% of top
   39 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.010  0.584  0.881     30.711  4.40
   2      0.185  0.227  0.571     30.667  4.40
   3      0.263  0.591  0.998     29.102  4.34
   #Sites = 39: output truncated to 3 sites

   Top 39 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #17 of 57 (TRIAL #1 of 41 deep)
   0%                   100%
   |=====================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 18 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.176  0.218  0.570    -196.82  4.31   0.0      2     28.109/    30.667
   2      0.010  0.584  0.881    -204.59  4.40  13.4      1     30.711/    30.711
   3      0.821  0.907  0.369    -208.32  4.12  13.2      1     23.144/    23.144
   #SITES = 18: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #18 of 57 (TRIAL #2 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 246.49 110.92 107.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 22 sites over 67.5% of top
   22 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.546  0.631  0.994     28.675  4.51
   2      0.388  0.762  0.003     28.528  4.50
   3      0.394  0.771  0.002     26.946  4.44
   #Sites = 22: output truncated to 3 sites

   Top 22 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #18 of 57 (TRIAL #2 of 41 deep)
   0%           100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.394  0.771  0.002    -189.05  4.44   0.0      2     26.946/    28.528
   2      0.546  0.631  0.994    -201.85  4.51  14.8      1     28.675/    28.675
   3      0.400  0.277  0.005    -202.04  4.00  29.1      1     15.220/    15.220
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #19 of 57 (TRIAL #3 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 228.28  42.66 166.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.955  0.917  0.165     19.965  4.47
   2      0.572  0.333  0.197     19.131  4.44
   3      0.110  0.025  0.132     15.142  4.29
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #19 of 57 (TRIAL #3 of 41 deep)
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.112  0.523  0.125    -211.72  4.16   0.0      2     11.647/    11.647
   2      0.110  0.025  0.132    -215.00  4.29  29.1      2     15.142/    15.142
   3      0.794  0.012  0.763    -220.07  3.93  22.5      1      5.553/     5.553
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #20 of 57 (TRIAL #4 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  42.30  43.33 166.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.916  0.297  0.244     26.399  4.64
   2      0.908  0.289  0.243     22.388  4.49
   3      0.709  0.397  0.942     19.864  4.39
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #20 of 57 (TRIAL #4 of 41 deep)
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.916  0.297  0.244    -188.82  4.64   0.0      2     26.399/    26.399
   2      0.565  0.076  0.626    -207.19  4.28  11.9      1     16.826/    16.826
   3      0.867  0.646  0.866    -209.36  4.09   9.9      1     11.972/    11.972
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #21 of 57 (TRIAL #5 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 191.16 154.26 328.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 21 sites over 67.5% of top
   21 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.226  0.557  0.628     35.499  4.97
   2      0.222  0.551  0.627     32.647  4.87
   3      0.368  0.661  0.401     22.515  4.49
   #Sites = 21: output truncated to 3 sites

   Top 21 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #21 of 57 (TRIAL #5 of 41 deep)
   0%          100%
   |============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 14 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.843  0.403  0.473    -199.02  4.42   0.0      1     20.888/    20.888
   2      0.226  0.557  0.628    -201.36  4.97  24.4      2     35.499/    35.499
   3      0.142  0.505  0.916    -210.09  4.31  31.4      1     17.813/    17.813
   #SITES = 14: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #22 of 57 (TRIAL #6 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  19.64 135.42 359.95 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.357  0.907  0.498     15.562  4.17
   2      0.355  0.903  0.496     15.202  4.15
   3      0.801  0.241  0.128     14.467  4.12
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #22 of 57 (TRIAL #6 of 41 deep)
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.801  0.241  0.128    -210.30  4.12   0.0      1     14.467/    14.467
   2      0.902  0.365  0.773    -216.51  3.91  17.3      1      8.845/     8.845
   3      0.821  0.542  0.602    -217.17  3.91  18.5      1      8.684/     8.684
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #23 of 57 (TRIAL #7 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 143.63  51.96 166.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.645  0.498  0.506     35.915  4.94
   2      0.636  0.996  0.507     15.458  4.18
   3      0.374  0.492  0.402     13.672  4.12
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #23 of 57 (TRIAL #7 of 41 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.645  0.498  0.506    -203.89  4.94   0.0      1     35.915/    35.915
   2      0.636  0.996  0.507    -214.22  4.18  29.2      2     15.458/    15.458
   3      0.932  0.712  0.613    -225.14  3.85  18.2      1      6.475/     6.475
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #24 of 57 (TRIAL #8 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 39 sites over 67.5% of top
   39 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.426  0.547  0.277     46.236  5.14
   2      0.083  0.446  0.848     35.530  4.74
   3      0.418  0.538  0.275     24.225  4.31
   #Sites = 39: output truncated to 3 sites

   Top 39 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #24 of 57 (TRIAL #8 of 41 deep)
   0%                   100%
   |=====================| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 24 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.426  0.547  0.277    -213.29  5.14   0.0      3     46.236/    46.236
   2      0.956  0.469  0.665    -215.84  4.27  10.0      2     23.119/    23.119
   3      0.083  0.446  0.848    -215.89  4.74  23.4      1     35.530/    35.530
   #SITES = 24: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #25 of 57 (TRIAL #9 of 41 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.41 103.97  21.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 12 sites over 67.5% of top
   12 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.088  0.875  0.420     18.722  4.35
   2      0.701  0.031  0.683     17.718  4.31
   3      0.711  0.041  0.681     14.450  4.19
   #Sites = 12: output truncated to 3 sites

   Top 12 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #25 of 57 (TRIAL #9 of 41 deep)
   0%      100%
   |=======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.998  0.954  0.014    -219.96  4.08   0.0      2     11.643/    11.643
   2      0.641  0.639  0.939    -220.02  4.00  21.0      1      9.446/     9.446
   3      0.701  0.031  0.683    -220.05  4.31  35.2      2     17.718/    17.718
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #26 of 57 (TRIAL #10 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 155.82  50.63 166.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.377  0.614  0.249     26.220  4.59
   2      0.375  0.109  0.252     21.365  4.40
   3      0.272  0.721  0.975     20.310  4.36
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #26 of 57 (TRIAL #10 of 41 deep)
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.377  0.614  0.249    -200.49  4.59   0.0      2     26.220/    26.220
   2      0.272  0.721  0.975    -205.72  4.36   8.1      1     20.310/    20.310
   3      0.375  0.109  0.252    -207.46  4.40  29.0      1     21.365/    21.365
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #27 of 57 (TRIAL #11 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 27 sites over 67.5% of top
   27 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.610  0.632  0.716     39.284  4.99
   2      0.610  0.130  0.716     37.227  4.91
   3      0.041  0.273  0.209     20.156  4.27
   #Sites = 27: output truncated to 3 sites

   Top 27 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #27 of 57 (TRIAL #11 of 41 deep)
   0%             100%
   |===============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 20 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.610  0.632  0.716    -204.92  4.99   0.0      1     39.284/    39.284
   2      0.610  0.130  0.716    -211.44  4.91  29.2      1     37.227/    37.227
   3      0.065  0.972  0.088    -218.42  3.95  32.8      1     11.871/    11.871
   #SITES = 20: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #28 of 57 (TRIAL #12 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  51.97  89.12  29.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.033  0.248  0.165     28.457  4.73
   2      0.043  0.485  0.880     26.692  4.66
   3      0.001  0.042  0.841     24.566  4.58
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #28 of 57 (TRIAL #12 of 41 deep)
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.043  0.485  0.880    -196.71  4.66   0.0      1     26.692/    26.692
   2      0.561  0.900  0.277    -203.54  4.30  10.9      1     16.946/    16.946
   3      0.382  0.992  0.040    -214.79  3.92  17.0      1      6.708/     6.708
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #29 of 57 (TRIAL #13 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 248.86  50.30 166.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.785  0.858  0.918     24.971  4.56
   2      0.516  0.283  0.276     20.390  4.39
   3      0.070  0.473  0.912     18.727  4.33
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #29 of 57 (TRIAL #13 of 41 deep)
   0%         100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.246  0.385  0.905    -201.67  4.13   0.0      2     13.418/    13.418
   2      0.785  0.858  0.918    -207.22  4.56  29.2      1     24.971/    24.971
   3      0.003  0.282  0.414    -207.53  4.21  28.0      2     15.658/    15.658
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #30 of 57 (TRIAL #14 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 192.02  51.06 180.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 24 sites over 67.5% of top
   24 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.779  0.119  0.750     32.051  4.81
   2      0.030  0.916  0.880     28.364  4.67
   3      0.835  0.074  0.878     19.258  4.33
   #Sites = 24: output truncated to 3 sites

   Top 24 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #30 of 57 (TRIAL #14 of 41 deep)
   0%            100%
   |=============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 20 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.030  0.916  0.880    -202.74  4.67   0.0      1     28.364/    28.364
   2      0.779  0.119  0.750    -205.47  4.81  26.1      1     32.051/    32.051
   3      0.938  0.400  0.831    -208.65  3.85  28.3      2      6.578/    17.082
   #SITES = 20: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #31 of 57 (TRIAL #15 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 158.57 141.16  29.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.147  0.369  0.255     28.913  4.74
   2      0.629  0.684  0.911     24.098  4.56
   3      0.138  0.362  0.256     21.780  4.47
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #31 of 57 (TRIAL #15 of 41 deep)
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.629  0.684  0.911    -211.60  4.56   0.0      1     24.098/    24.098
   2      0.147  0.369  0.255    -212.53  4.74   5.6      2     28.913/    28.913
   3      0.372  0.491  0.203    -212.99  3.95  16.7      1      8.151/     8.151
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #32 of 57 (TRIAL #16 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  38.07  89.35 209.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 28 sites over 67.5% of top
   28 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.602  0.130  0.165     44.988  5.12
   2      0.809  0.558  0.011     38.191  4.86
   3      0.732  0.204  0.777     36.336  4.79
   #Sites = 28: output truncated to 3 sites

   Top 28 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #32 of 57 (TRIAL #16 of 41 deep)
   0%              100%
   |===============| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 16 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.809  0.558  0.011    -185.29  4.86   0.0      1     38.191/    38.191
   2      0.806  0.054  0.007    -189.63  4.77  29.1      1     35.854/    35.854
   3      0.732  0.204  0.777    -191.13  4.79  20.7      1     36.336/    36.336
   #SITES = 16: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #33 of 57 (TRIAL #17 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 119.16 154.26 328.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 19 sites over 67.5% of top
   19 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.553  0.126  0.499     20.985  4.55
   2      0.546  0.120  0.500     17.456  4.42
   3      0.802  0.326  0.794     17.256  4.41
   #Sites = 19: output truncated to 3 sites

   Top 19 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #33 of 57 (TRIAL #17 of 41 deep)
   0%         100%
   |===========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 13 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.546  0.120  0.500    -203.66  4.42   0.0      2     17.456/    20.985
   2      0.802  0.326  0.794    -211.50  4.41  18.6      1     17.256/    17.256
   3      0.890  0.332  0.981    -220.06  4.05  18.4      1      7.379/     7.379
   #SITES = 13: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #34 of 57 (TRIAL #18 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 261.99 161.82 297.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.631  0.165  0.141     33.283  5.03
   2      0.607  0.153  0.147     29.372  4.88
   3      0.118  0.986  0.407     20.131  4.53
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #34 of 57 (TRIAL #18 of 41 deep)
   0%         100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.631  0.165  0.141    -206.46  5.03   0.0      3     33.283/    33.283
   2      0.861  0.068  0.999    -219.62  4.34  21.6      1     14.952/    14.952
   3      0.778  0.126  0.992    -222.47  3.96  17.2      1      4.849/     4.849
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #35 of 57 (TRIAL #19 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 317.53  52.62 166.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 18 sites over 67.5% of top
   18 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.548  0.315  0.493     26.861  4.63
   2      0.027  0.435  0.554     20.161  4.38
   3      0.043  0.185  0.231     19.838  4.37
   #Sites = 18: output truncated to 3 sites

   Top 18 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #35 of 57 (TRIAL #19 of 41 deep)
   0%         100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 12 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.027  0.435  0.554    -207.32  4.38   0.0      1     20.161/    20.161
   2      0.548  0.315  0.493    -209.30  4.63  25.9      1     26.861/    26.861
   3      0.309  0.125  0.829    -210.39  4.34  13.9      1     19.034/    19.034
   #SITES = 12: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #36 of 57 (TRIAL #20 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  11.21  38.41 186.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 17 sites over 67.5% of top
   17 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.996  0.549  0.775     30.518  4.73
   2      0.953  0.900  0.841     24.417  4.49
   3      0.930  0.141  0.553     19.409  4.30
   #Sites = 17: output truncated to 3 sites

   Top 17 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #36 of 57 (TRIAL #20 of 41 deep)
   0%        100%
   |==========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 11 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.953  0.900  0.841    -202.53  4.49   0.0      1     24.417/    24.417
   2      0.996  0.549  0.775    -204.62  4.73  22.8      1     30.518/    30.518
   3      0.954  0.409  0.838    -212.84  3.98  28.8      1     10.918/    10.918
   #SITES = 11: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #37 of 57 (TRIAL #21 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  33.01 151.26  23.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.234  0.036  0.632     10.127  4.20
   2      0.238  0.041  0.631      9.694  4.18
   3      0.866  0.318  0.287      8.785  4.15
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #37 of 57 (TRIAL #21 of 41 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.595  0.180  0.038    -222.93  4.00   0.0      1     4.7679/    4.7679
   2      0.238  0.041  0.631    -223.57  4.18  30.7      2     9.6944/   10.1273
   3      0.866  0.318  0.287    -228.44  4.15  21.1      1     8.7847/    8.7847
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #38 of 57 (TRIAL #22 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 175.45  89.34  28.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.621  0.515  0.905     13.759  4.60
   2      0.626  0.519  0.904      7.945  4.39
   3      0.839  0.374  0.976      5.895  4.32
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #38 of 57 (TRIAL #22 of 41 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.621  0.515  0.905    -222.97  4.60   0.0      2     13.759/    13.759
   2      0.622  0.021  0.901    -234.49  4.23  29.0      2      3.528/     3.528
   3      0.981  0.031  0.006    -237.91  4.22  28.5      1      3.361/     3.361
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #39 of 57 (TRIAL #23 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 341.90  49.97 166.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.078  0.908  0.972     21.398  4.74
   2      0.080  0.406  0.973     15.208  4.51
   3      0.101  0.725  0.780     10.442  4.34
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #39 of 57 (TRIAL #23 of 41 deep)
   0%        100%
   |=========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.078  0.908  0.972    -213.34  4.74   0.0      1     21.398/    21.398
   2      0.101  0.725  0.780    -216.46  4.34  21.3      1     10.442/    10.442
   3      0.600  0.711  0.221    -223.73  4.08  15.2      2      3.464/     4.549
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #40 of 57 (TRIAL #24 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 273.49  70.29 285.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.718  0.267  0.343     16.283  4.46
   2      0.721  0.771  0.344      8.529  4.18
   3      0.244  0.484  0.848      7.726  4.15
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #40 of 57 (TRIAL #24 of 41 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.040  0.946  0.909    -225.94  4.06   0.0      1     5.3988/    5.3988
   2      0.836  0.365  0.121    -226.93  4.02  28.5      1     4.3383/    4.3383
   3      0.224  0.896  0.442    -237.86  4.06  22.5      1     5.4546/    5.4546
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #41 of 57 (TRIAL #25 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 208.22 168.17 341.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.151  0.253  0.182     17.783  4.57
   2      0.770  0.470  0.962      6.414  4.15
   3      0.305  0.500  0.908      6.345  4.15
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #41 of 57 (TRIAL #25 of 41 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.151  0.253  0.182    -216.57  4.57   0.0      1     17.783/    17.783
   2      0.305  0.500  0.908    -218.54  4.15  25.3      1      6.345/     6.345
   3      0.147  0.756  0.179    -224.51  4.11  29.0      1      5.258/     5.258
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #42 of 57 (TRIAL #26 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 345.37 136.02 344.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.971  0.046  0.064     22.326  4.73
   2      0.977  0.051  0.063     14.569  4.44
   3      0.972  0.545  0.061     14.342  4.43
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #42 of 57 (TRIAL #26 of 41 deep)
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.971  0.046  0.064    -227.11  4.73   0.0      2     22.326/    22.326
   2      0.185  0.717  0.054    -230.23  4.19  27.8      1      7.830/     7.830
   3      0.090  0.283  0.639    -230.67  4.07  20.3      2      4.463/     7.977
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #43 of 57 (TRIAL #27 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 135.29  42.99 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.892  0.270  0.164     16.780  4.50
   2      0.818  0.771  0.975     10.584  4.27
   3      0.517  0.376  0.123      8.977  4.21
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #43 of 57 (TRIAL #27 of 41 deep)
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.020  0.940  0.156    -214.63  4.18   0.0      1     8.2454/    8.2454
   2      0.517  0.376  0.123    -217.67  4.21  27.7      1     8.9771/    8.9771
   3      0.892  0.270  0.164    -222.38  4.50  24.0      1    16.7801/   16.7801
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #44 of 57 (TRIAL #28 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 306.93 109.72  15.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.988  0.294  0.931     31.297  4.89
   2      0.119  0.580  0.979     23.599  4.59
   3      0.691  0.203  0.739     13.583  4.21
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #44 of 57 (TRIAL #28 of 41 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.119  0.580  0.979    -208.08  4.59   0.0      1     23.599/    23.599
   2      0.988  0.294  0.931    -212.83  4.89  15.2      1     31.297/    31.297
   3      0.691  0.203  0.739    -224.71  4.21  32.1      1     13.583/    13.583
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #45 of 57 (TRIAL #29 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  10.10  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 7 sites over 67.5% of top
   7 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.740  0.849  0.149     22.771  4.60
   2      0.742  0.350  0.148     21.785  4.56
   3      0.293  0.554  0.602     12.585  4.22
   #Sites = 7: output truncated to 3 sites

   Top 7 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #45 of 57 (TRIAL #29 of 41 deep)
   0%   100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.740  0.849  0.149    -218.85  4.60   0.0      1     22.771/    22.771
   2      0.742  0.350  0.148    -222.36  4.56  29.3      1     21.785/    21.785
   3      0.941  0.872  0.737    -223.89  4.20  40.3      2     12.262/    12.262
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #46 of 57 (TRIAL #30 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 216.30  43.99 166.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.160  0.676  0.588     23.639  4.64
   2      0.041  0.609  0.097     14.974  4.31
   3      0.043  0.113  0.097     13.825  4.26
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #46 of 57 (TRIAL #30 of 41 deep)
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 10 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.160  0.676  0.588    -216.35  4.64   0.0      1     23.639/    23.639
   2      0.043  0.058  0.890    -219.49  4.12  27.0      2     10.026/    10.026
   3      0.025  0.431  0.878    -221.73  4.16  27.0      1     11.156/    11.156
   #SITES = 10: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #47 of 57 (TRIAL #31 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler   0.62  56.68 320.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.142  0.062  0.073     23.146  4.84
   2      0.294  0.109  0.570     21.198  4.77
   3      0.143  0.565  0.071     17.731  4.64
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #47 of 57 (TRIAL #31 of 41 deep)
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.711  0.347  0.683    -207.70  4.48   0.0      2     13.467/    13.467
   2      0.142  0.062  0.073    -207.93  4.84  25.7      1     23.146/    23.146
   3      0.294  0.109  0.570    -216.40  4.77  23.7      2     21.198/    21.198
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #48 of 57 (TRIAL #32 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 170.97  39.05 167.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.686  0.238  0.216     21.745  4.53
   2      0.688  0.741  0.217     18.872  4.41
   3      0.804  0.995  0.863     12.315  4.16
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #48 of 57 (TRIAL #32 of 41 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.688  0.741  0.217    -210.33  4.41   0.0      1     18.872/    18.872
   2      0.804  0.998  0.861    -212.31  4.14  30.6      2     11.875/    12.315
   3      0.686  0.238  0.216    -213.93  4.53  29.1      1     21.745/    21.745
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #49 of 57 (TRIAL #33 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 160.28 134.06 344.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 16 sites over 67.5% of top
   16 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.940  0.369  0.006     17.276  4.56
   2      0.418  0.131  0.443     16.504  4.53
   3      0.129  0.445  0.777     14.553  4.46
   #Sites = 16: output truncated to 3 sites

   Top 16 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #49 of 57 (TRIAL #33 of 41 deep)
   0%        100%
   |=========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.127  0.442  0.779    -222.12  4.35   0.0      3     11.737/    14.553
   2      0.709  0.711  0.429    -223.98  4.11   8.4      2      5.054/     5.939
   3      0.416  0.132  0.441    -224.67  4.39  29.2      2     12.727/    16.504
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #50 of 57 (TRIAL #34 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  30.53  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.277  0.983  0.218     20.704  4.51
   2      0.273  0.481  0.217     16.464  4.35
   3      0.820  0.170  0.696     12.705  4.20
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #50 of 57 (TRIAL #34 of 41 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.820  0.170  0.696    -231.40  4.20   0.0      2     12.705/    12.705
   2      0.949  0.211  0.862    -232.71  3.97  16.9      1      6.426/     6.426
   3      0.273  0.481  0.217    -234.78  4.35  26.9      1     16.464/    16.464
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #51 of 57 (TRIAL #35 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 273.14  47.64 166.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.074  0.755  0.337     12.802  4.30
   2      0.682  0.492  0.478     11.681  4.26
   3      0.173  0.783  0.878     10.825  4.23
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #51 of 57 (TRIAL #35 of 41 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 6 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.173  0.783  0.878    -202.42  4.23   0.0      2     10.825/    10.825
   2      0.222  0.435  0.013    -220.72  4.14  25.4      1      8.450/     8.450
   3      0.074  0.755  0.337    -223.24  4.30  31.8      1     12.802/    12.802
   #SITES = 6: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #52 of 57 (TRIAL #36 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 248.61  17.71 157.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 13 sites over 67.5% of top
   13 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.177  0.150  0.472     17.881  4.45
   2      0.683  0.071  0.719     11.835  4.22
   3      0.693  0.346  0.878     11.145  4.20
   #Sites = 13: output truncated to 3 sites

   Top 13 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #52 of 57 (TRIAL #36 of 41 deep)
   0%      100%
   |========| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 9 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.177  0.150  0.472    -214.95  4.45   0.0      1     17.881/    17.881
   2      0.514  0.796  0.471    -215.11  3.97  32.8      1      5.254/     5.254
   3      0.683  0.071  0.719    -217.12  4.22  28.5      1     11.835/    11.835
   #SITES = 9: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #53 of 57 (TRIAL #37 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 276.92 132.74 344.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 9 sites over 67.5% of top
   9 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.498  0.372  0.106     14.876  4.18
   2      0.038  0.556  0.942     14.493  4.16
   3      0.480  0.494  0.148     13.451  4.12
   #Sites = 9: output truncated to 3 sites

   Top 9 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #53 of 57 (TRIAL #37 of 41 deep)
   0%    100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 7 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.480  0.494  0.148    -219.05  4.12   0.0      1     13.451/    13.451
   2      0.254  0.596  0.787    -224.17  3.89  20.2      1      7.307/     7.307
   3      0.038  0.556  0.942    -224.32  4.16  29.0      2     14.493/    14.493
   #SITES = 7: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #54 of 57 (TRIAL #38 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler   9.76  25.60 151.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.620  0.483  0.072     5.6396  4.27
   2      0.362  0.583  0.536     5.0441  4.25
   3      0.686  0.230  0.867     3.6412  4.19
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #54 of 57 (TRIAL #38 of 41 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.362  0.583  0.536    -239.24  4.25   0.0      1     5.0441/    5.0441
   2      0.686  0.230  0.867    -240.72  4.19  28.4      1     3.6412/    3.6412
   3      0.620  0.483  0.072    -242.17  4.27  28.3      1     5.6396/    5.6396
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #55 of 57 (TRIAL #39 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 312.31 138.57   1.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.238  0.349  0.951     15.606  4.32
   2      0.421  0.025  0.228     14.695  4.29
   3      0.227  0.882  0.758     10.733  4.13
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #55 of 57 (TRIAL #39 of 41 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.421  0.025  0.228    -214.04  4.29   0.0      1     14.695/    14.695
   2      0.470  0.762  0.553    -222.08  4.12  16.2      1     10.273/    10.273
   3      0.238  0.349  0.951    -225.00  4.32  17.8      1     15.606/    15.606
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #5 of 38 TRIAL #56 of 57 (TRIAL #40 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 273.03 108.31 140.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.095  0.433  0.032     17.618  5.63
   2      0.089  0.453  0.965     -9.664  4.71
   3      0.097  0.931  0.034    -10.829  4.67

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #56 of 57 (TRIAL #40 of 41 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.095  0.433  0.032    -229.62  5.63   0.0      1     17.618/    17.618

   SET #5 of 38 TRIAL #57 of 57 (TRIAL #41 of 41 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 288.68 107.12 137.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.528  0.761  0.751    -6.7903  4.65

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #5 of 38 TRIAL #57 of 57 (TRIAL #41 of 41 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.528  0.761  0.751    -253.84  4.65   0.0      1    -6.7903/   -6.7903


----------------------------------
DEEP TRANSLATION FUNCTION #6 OF 38
----------------------------------

   2 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RF++ TFZ=19.7 +TNCS PAK=0 LLG=38
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.9  138.1 FRAC -0.35  0.05 -0.00 BFAC
    24.20
   SOLU 6DIM ENSE ensemble1 EULER  279.1  107.8  140.7 FRAC -0.35 -0.46 -0.01 BFAC
    24.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.262  105.870  137.302 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #6 of 38
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -356.24   (50.32)

   SET #6 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.925  0.623  0.315     5.5808  4.47

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #6 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.925  0.623  0.315    -196.42  4.47   0.0      1     5.5808/    5.5808

   SET #6 of 38 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 272.26 105.87 137.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------------
DEEP TRANSLATION FUNCTION #7 OF 38
----------------------------------

   2 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=159 RF++ TFZ=18.8 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.5 FRAC  0.08  0.41  0.00 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.4  139.0 FRAC  0.08  0.91 -0.01 BFAC 
    0.80
   SOLU 6DIM ENSE ensemble1 EULER  275.6  105.8  139.0 FRAC  0.58  0.90 -0.00 BFAC
    22.46
   SOLU 6DIM ENSE ensemble1 EULER  278.2  112.8  140.1 FRAC -0.42  0.39 -0.01 BFAC
    22.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.697  107.153  139.517 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #7 of 38
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -373.36   (66.89)

   SET #7 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #7 of 38 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 272.70 107.15 139.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------------
DEEP TRANSLATION FUNCTION #8 OF 38
----------------------------------

   2 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=19.0 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  266.9  107.0  140.1 FRAC  0.64  1.32  0.01 BFAC
    24.47
   SOLU 6DIM ENSE ensemble1 EULER  271.9  108.0  139.6 FRAC  0.62  1.81 -0.00 BFAC
    24.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.489  107.147  138.248 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #8 of 38
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -403.94   (71.51)

   SET #8 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.613  0.580  0.317     5.2676  4.34

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #8 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.613  0.580  0.317    -203.42  4.34   0.0      1     5.2676/    5.2676

   SET #8 of 38 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 272.49 107.15 138.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


----------------------------------
DEEP TRANSLATION FUNCTION #9 OF 38
----------------------------------

   2 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=163 RF++ TFZ=18.9 +TNCS PAK=0 LLG=34
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  138.2 FRAC  0.12  0.80  0.00 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.0  140.3 FRAC  0.13  1.30 -0.01 BFAC 
    0.95
   SOLU 6DIM ENSE ensemble1 EULER  265.5  110.9  134.6 FRAC -0.37  0.83  0.00 BFAC
    24.70
   SOLU 6DIM ENSE ensemble1 EULER  275.5  108.1  139.0 FRAC -0.37  0.30 -0.00 BFAC
    24.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.903   79.295   48.455 RFZ  3.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.489  107.147  138.248 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #9 of 38
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -378.04   (60.76)

   SET #9 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler  32.90  79.30  48.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.434  0.621  0.963     10.684  4.96
   2      0.915  0.945  0.088      4.188  4.70
   3      0.915  0.442  0.086      2.610  4.64

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #9 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.434  0.621  0.963    -206.31  4.96   0.0      1     10.684/    10.684
   2      0.915  0.442  0.086    -206.42  4.64  29.1      1      2.610/     2.610
   3      0.915  0.945  0.088    -210.90  4.70  27.5      1      4.188/     4.188

   SET #9 of 38 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   -----------------------------------------------
   Ensemble ensemble1 Euler 272.49 107.15 138.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-----------------------------------
DEEP TRANSLATION FUNCTION #10 OF 38
-----------------------------------

   2 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=159 RF++ TFZ=18.7 +TNCS PAK=0 LLG=32
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.6  108.8  140.1 FRAC  0.18  0.93  0.00 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  273.9  109.5  140.9 FRAC  0.18  1.44 -0.01 BFAC 
    1.64
   SOLU 6DIM ENSE ensemble1 EULER  275.5  116.0  141.1 FRAC  0.67  1.41 -0.00 BFAC
    22.68
   SOLU 6DIM ENSE ensemble1 EULER  154.5  109.4  141.5 FRAC  0.24  1.32 -0.34 BFAC
    22.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.636  108.779  140.081 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #10 of 38
   0% 100%
   |==| DONE

   Mean Score (Sigma):       -381.95   (57.41)

   SET #10 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.252  0.456  0.529     20.271  5.10
   2      0.248  0.451  0.529     15.717  4.91
   3      0.065  0.883  0.115     11.477  4.74
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #10 of 38 TRIAL #1 of 2 (TRIAL #1 of 2 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.252  0.456  0.529    -179.33  5.10   0.0      2     20.271/    20.271
   2      0.194  0.508  0.235    -192.94  4.43  14.3      1      3.596/     3.596
   3      0.618  0.586  0.639    -193.42  4.56  21.5      1      6.965/     6.965
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #10 of 38 TRIAL #2 of 2 (TRIAL #2 of 2 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 273.64 108.78 140.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-----------------------------------
DEEP TRANSLATION FUNCTION #11 OF 38
-----------------------------------

   6 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=161 RF++ TFZ=18.5 +TNCS PAK=0 LLG=32
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.1  139.4 FRAC  0.00  0.30  0.00 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.5  139.1 FRAC -0.00  0.80 -0.01 BFAC 
    1.15
   SOLU 6DIM ENSE ensemble1 EULER  280.6  114.2  138.0 FRAC  0.51  0.78 -0.00 BFAC
    25.58
   SOLU 6DIM ENSE ensemble1 EULER  274.2  106.6  140.8 FRAC  0.50  0.30 -0.01 BFAC
    25.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.903   79.295   48.455 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.112  107.090  139.427 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.634  114.194  137.984 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #11 of 38
   0%   100%
   |====| DONE

   Mean Score (Sigma):       -377.99   (55.73)

   SET #11 of 38 TRIAL #1 of 6 (TRIAL #1 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  32.90  79.30  48.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #11 of 38 TRIAL #2 of 6 (TRIAL #2 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.664  0.265  0.033     3.8339  4.60

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #11 of 38 TRIAL #2 of 6 (TRIAL #2 of 6 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.664  0.265  0.033    -213.37  4.60   0.0      1     3.8339/    3.8339

   SET #11 of 38 TRIAL #3 of 6 (TRIAL #3 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.017  0.337  0.912     19.799  5.25
   2      0.634  0.248  0.548      7.933  4.78
   3      0.629  0.747  0.548      6.546  4.72
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #11 of 38 TRIAL #3 of 6 (TRIAL #3 of 6 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.017  0.337  0.912    -195.34  5.25   0.0      1     19.799/    19.799
   2      0.634  0.248  0.548    -199.19  4.78  17.3      1      7.933/     7.933
   3      0.629  0.747  0.548    -204.24  4.72  27.9      1      6.546/     6.546
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #11 of 38 TRIAL #4 of 6 (TRIAL #4 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.266  0.185  0.225     12.301  5.26
   2      0.276  0.684  0.223     -3.844  4.65

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #11 of 38 TRIAL #4 of 6 (TRIAL #4 of 6 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.266  0.185  0.225    -197.46  5.26   0.0      1     12.301/    12.301
   2      0.276  0.684  0.223    -213.21  4.65  29.0      1     -3.844/    -3.844

   SET #11 of 38 TRIAL #5 of 6 (TRIAL #5 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 273.11 107.09 139.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.013  0.317  0.966    -15.584  5.75

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #11 of 38 TRIAL #5 of 6 (TRIAL #5 of 6 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.013  0.317  0.966    -263.95  5.75   0.0      1    -15.584/   -15.584

   SET #11 of 38 TRIAL #6 of 6 (TRIAL #6 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 280.63 114.19 137.98 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-----------------------------------
DEEP TRANSLATION FUNCTION #12 OF 38
-----------------------------------

   6 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=156 RF++ TFZ=18.7 +TNCS PAK=0 LLG=29
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.3 FRAC  0.00  0.60  0.00 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  273.2  108.3  140.6 FRAC  0.01  1.10 -0.01 BFAC 
    1.52
   SOLU 6DIM ENSE ensemble1 EULER  275.1  108.4  141.7 FRAC  0.50  1.10 -0.01 BFAC
    25.97
   SOLU 6DIM ENSE ensemble1 EULER  267.5  116.1  133.0 FRAC  0.51  0.63 -0.00 BFAC
    25.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.504  107.050  139.307 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.493  116.077  132.966 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #12 of 38
   0%   100%
   |====| DONE

   Mean Score (Sigma):       -369.13   (44.91)

   SET #12 of 38 TRIAL #1 of 6 (TRIAL #1 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 10 sites over 67.5% of top
   10 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.335  0.057  0.118     34.421  5.45
   2      0.332  0.054  0.116     28.251  5.21
   3      0.217  0.853  0.425     15.182  4.68
   #Sites = 10: output truncated to 3 sites

   Top 10 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 38 TRIAL #1 of 6 (TRIAL #1 of 6 deep)
   0%     100%
   |======| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 8 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.335  0.057  0.118    -187.11  5.45   0.0      2     34.421/    34.421
   2      0.958  0.263  0.989    -195.26  4.36  32.4      1      7.221/     7.221
   3      0.217  0.853  0.425    -195.72  4.68  29.3      1     15.182/    15.182
   #SITES = 8: OUTPUT TRUNCATED TO 3 SITES

   SET #12 of 38 TRIAL #2 of 6 (TRIAL #2 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.040  0.580  0.499     3.1912  4.41

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 38 TRIAL #2 of 6 (TRIAL #2 of 6 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.040  0.580  0.499    -226.80  4.41   0.0      1     3.1912/    3.1912

   SET #12 of 38 TRIAL #3 of 6 (TRIAL #3 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.062  0.995  0.037     8.4573  4.75

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #12 of 38 TRIAL #3 of 6 (TRIAL #3 of 6 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.062  0.995  0.037    -203.61  4.75   0.0      1     8.4573/    8.4573

   SET #12 of 38 TRIAL #4 of 6 (TRIAL #4 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 194.23 100.05 224.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 38 TRIAL #5 of 6 (TRIAL #5 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.50 107.05 139.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #12 of 38 TRIAL #6 of 6 (TRIAL #6 of 6 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 267.49 116.08 132.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-----------------------------------
DEEP TRANSLATION FUNCTION #13 OF 38
-----------------------------------

   43 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=5.5 +TNCS PAK=3 LLG=4
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   47.431   51.079  220.363 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.256  100.769  214.722 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.339   13.869  164.035 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  277.090  149.453  327.843 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.767   75.249  320.815 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  112.600   69.431  197.196 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.914   66.997   36.416 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  170.966   39.048  167.787 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  167.517   75.429  257.833 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.161  154.261  328.399 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  257.789  119.527  139.389 RFZ  2.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.934  109.721   15.844 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER   86.406   37.258   91.770 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  127.486  101.271  140.372 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   69.452   11.206  172.708 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.903   33.352  194.114 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.800   72.334  199.617 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.179   70.088  260.653 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.851  140.979    3.191 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.977   66.124  287.371 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.208  163.714  333.602 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.313  138.565    1.491 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  151.162  107.624   93.714 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.644   74.512  295.687 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.316   68.304  213.142 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  346.195  150.734   20.882 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  319.118   77.049  294.298 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   44.468   40.915  207.626 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.165  126.757   11.784 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.028  108.310  140.369 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER    2.089  156.829    4.060 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #13 of 38
   0%                         100%
   |===========================| DONE

   Mean Score (Sigma):       -356.22   (29.33)

   SET #13 of 38 TRIAL #9 of 51 (TRIAL #1 of 43 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 277.09 149.45 327.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.519  0.910  0.073     7.4695  5.06
   2      0.520  0.408  0.075     3.1104  4.91
   3      0.514  0.905  0.075    -5.0488  4.63

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #9 of 51 (TRIAL #1 of 43 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.519  0.910  0.073    -254.61  5.06   0.0      2     7.4695/    7.4695
   2      0.520  0.408  0.075    -260.05  4.91  29.2      1     3.1104/    3.1104

   SET #13 of 38 TRIAL #10 of 51 (TRIAL #2 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.696  0.706  0.908     13.256  4.89
   2      0.688  0.698  0.907     11.609  4.84
   3      0.618  0.385  0.488      4.603  4.59
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #10 of 51 (TRIAL #2 of 43 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 5 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.696  0.706  0.908    -245.60  4.89   0.0      2     13.256/    13.256
   2      0.676  0.300  0.167    -254.83  4.37  20.7      1     -1.310/    -1.310
   3      0.154  0.991  0.308    -262.97  4.42  26.4      1     -0.043/    -0.043
   #SITES = 5: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #11 of 51 (TRIAL #3 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.131  0.447  0.982    -2.3159  4.42
   2      0.381  0.533  0.941    -2.7812  4.41
   3      0.641  0.420  0.739    -2.9652  4.40
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #11 of 51 (TRIAL #3 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.131  0.447  0.982    -244.12  4.42   0.0      1    -2.3159/   -2.3159
   2      0.641  0.420  0.739    -252.97  4.40  20.4      1    -2.9652/   -2.9652
   3      0.138  0.949  0.979    -264.12  4.37  29.3      1    -3.7407/   -3.7407

   SET #13 of 38 TRIAL #12 of 51 (TRIAL #4 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.420  0.677  0.028     12.021  5.07
   2      0.412  0.662  0.028     -1.538  4.59

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #12 of 51 (TRIAL #4 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.420  0.677  0.028    -243.15  5.07   0.0      2     12.021/    12.021

   SET #13 of 38 TRIAL #13 of 51 (TRIAL #5 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 334.77  75.25 320.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.316  0.690  0.898    -5.0081  4.62

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #13 of 51 (TRIAL #5 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.316  0.690  0.898    -254.92  4.62   0.0      1    -5.0081/   -5.0081

   SET #13 of 38 TRIAL #14 of 51 (TRIAL #6 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 292.35  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.722  0.713  0.955    -5.0301  4.53

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #14 of 51 (TRIAL #6 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.722  0.713  0.955    -250.66  4.53   0.0      1    -5.0301/   -5.0301

   SET #13 of 38 TRIAL #15 of 51 (TRIAL #7 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  20.17 100.17 223.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.528  0.756  0.017     27.800  5.65
   2      0.064  0.726  0.102      2.683  4.77
   3      0.189  0.712  0.010      2.345  4.76
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #15 of 51 (TRIAL #7 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.528  0.756  0.017    -217.41  5.65   0.0      1     27.800/    27.800
   2      0.056  0.719  0.100    -251.60  4.70  27.8      1      0.696/     0.696

   SET #13 of 38 TRIAL #16 of 51 (TRIAL #8 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 112.60  69.43 197.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.830  0.892  0.929    -4.7674  4.48
   2      0.875  0.096  0.817    -5.3629  4.46

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #16 of 51 (TRIAL #8 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.875  0.096  0.817    -253.98  4.46   0.0      1    -5.3629/   -5.3629
   2      0.830  0.892  0.929    -254.20  4.48  15.1      1    -4.7674/   -4.7674

   SET #13 of 38 TRIAL #17 of 51 (TRIAL #9 of 43 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 305.91  67.00  36.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 38 TRIAL #18 of 51 (TRIAL #10 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 38 TRIAL #19 of 51 (TRIAL #11 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.662  0.248  0.036    -1.2132  4.77
   2      0.416  0.162  0.944    -2.0474  4.74
   3      0.407  0.153  0.942    -2.8410  4.72
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #19 of 51 (TRIAL #11 of 43 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.407  0.153  0.942    -249.09  4.72   0.0      2    -2.8410/   -2.0474
   2      0.716  0.570  0.137    -265.85  4.58  13.1      1    -6.9518/   -6.9518
   3      0.795  0.720  0.949    -271.62  4.65  29.4      1    -4.8351/   -4.8351
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #20 of 51 (TRIAL #12 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.630  0.269  0.889    -0.0817  4.69
   2      0.803  0.681  0.996    -4.4016  4.54
   3      0.181  0.821  0.253    -5.6864  4.50

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #20 of 51 (TRIAL #12 of 43 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.803  0.681  0.996    -258.14  4.54   0.0      1    -4.4016/   -4.4016
   2      0.181  0.821  0.253    -260.74  4.50  31.0      1    -5.6864/   -5.6864
   3      0.630  0.269  0.889    -263.43  4.69  23.3      1    -0.0817/   -0.0817

   SET #13 of 38 TRIAL #21 of 51 (TRIAL #13 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 170.97  39.05 167.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.494  0.359  0.111     2.3169  4.78
   2      0.493  0.861  0.108    -4.4289  4.55

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #21 of 51 (TRIAL #13 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.494  0.359  0.111    -239.13  4.78   0.0      1     2.3169/    2.3169
   2      0.493  0.861  0.108    -247.82  4.55  29.2      1    -4.4289/   -4.4289

   SET #13 of 38 TRIAL #22 of 51 (TRIAL #14 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.093  0.388  0.154     20.538  5.35
   2      0.116  0.307  0.883      1.391  4.68
   3      0.299  0.959  0.020     -0.019  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #22 of 51 (TRIAL #14 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.093  0.388  0.154    -240.13  5.35   0.0      1     20.538/    20.538
   2      0.299  0.959  0.020    -246.57  4.63  32.0      1     -0.019/    -0.019
   3      0.116  0.307  0.883    -254.53  4.68  26.1      1      1.391/     1.391
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #23 of 51 (TRIAL #15 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 167.52  75.43 257.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.218  0.790  0.989     3.8272  5.34
   2      0.217  0.293  0.995    -4.9796  5.04
   3      0.222  0.295  0.995    -6.1520  5.00
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #23 of 51 (TRIAL #15 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.218  0.790  0.989    -222.67  5.34   0.0      1     3.8272/    3.8272
   2      0.053  0.440  0.001    -239.84  4.89  17.8      1    -9.2731/   -9.2731
   3      0.217  0.293  0.995    -242.62  5.04  29.1      2    -4.9796/   -4.9796

   SET #13 of 38 TRIAL #24 of 51 (TRIAL #16 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 335.16 154.26 328.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.310  0.957  0.866     9.0366  4.94
   2      0.272  0.357  0.017    -2.3705  4.54
   3      0.272  0.857  0.017    -4.6976  4.46

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #24 of 51 (TRIAL #16 of 43 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.310  0.957  0.866    -235.16  4.94   0.0      1     9.0366/    9.0366
   2      0.272  0.857  0.017    -250.93  4.46  15.1      1    -4.6976/   -4.6976
   3      0.272  0.357  0.017    -262.27  4.54  27.0      1    -2.3705/   -2.3705

   SET #13 of 38 TRIAL #25 of 51 (TRIAL #17 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 257.79 119.53 139.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.593  0.542  0.867     15.432  5.44
   2      0.588  0.034  0.863     11.517  5.31
   3      0.596  0.546  0.867     11.112  5.29
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #25 of 51 (TRIAL #17 of 43 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.591  0.036  0.861    -253.69  4.96   0.0      3     1.4094/   11.5174
   2      0.596  0.546  0.867    -254.64  5.29  28.8      2    11.1124/   15.4324
   3      0.094  0.375  0.981    -265.52  5.18  28.0      1     7.6299/    7.6299

   SET #13 of 38 TRIAL #26 of 51 (TRIAL #18 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 306.93 109.72  15.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.887  0.298  0.025     7.4053  4.99
   2      0.189  0.491  0.012     4.4472  4.89
   3      0.086  0.877  0.057    -4.4843  4.57
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #26 of 51 (TRIAL #18 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.189  0.491  0.012    -244.06  4.89   0.0      1     4.4472/    4.4472
   2      0.599  0.277  0.987    -261.00  4.54  30.4      1    -5.5694/   -5.5694
   3      0.887  0.298  0.025    -267.20  4.99  15.6      1     7.4053/    7.4053

   SET #13 of 38 TRIAL #27 of 51 (TRIAL #19 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  86.41  37.26  91.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.714  0.799  0.893    -0.7321  4.95
   2      0.913  0.616  0.137    -7.3847  4.72

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #27 of 51 (TRIAL #19 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.714  0.799  0.893    -260.25  4.95   0.0      1    -0.7321/   -0.7321
   2      0.913  0.616  0.137    -277.86  4.72  27.2      1    -7.3847/   -7.3847

   SET #13 of 38 TRIAL #28 of 51 (TRIAL #20 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 127.49 101.27 140.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 38 TRIAL #29 of 51 (TRIAL #21 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  69.45  11.21 172.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.171  0.276  0.934     2.0513  4.94
   2      0.173  0.778  0.930    -6.4842  4.64
   3      0.180  0.784  0.932    -6.9503  4.63
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #29 of 51 (TRIAL #21 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.171  0.276  0.934    -284.25  4.94   0.0      2     2.0513/    2.0513
   2      0.180  0.784  0.932    -289.72  4.63  29.1      2    -6.9503/   -6.4842

   SET #13 of 38 TRIAL #30 of 51 (TRIAL #22 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 276.90  33.35 194.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.105  0.521  0.932     0.1248  4.61
   2      0.229  0.059  0.058    -1.0548  4.57

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #30 of 51 (TRIAL #22 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.105  0.521  0.932    -271.15  4.61   0.0      1     0.1248/    0.1248
   2      0.229  0.059  0.058    -288.42  4.57  26.4      1    -1.0548/   -1.0548

   SET #13 of 38 TRIAL #31 of 51 (TRIAL #23 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.500  0.304  0.940    -4.0444  4.61

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #31 of 51 (TRIAL #23 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.500  0.304  0.940    -282.34  4.61   0.0      1    -4.0444/   -4.0444

   SET #13 of 38 TRIAL #32 of 51 (TRIAL #24 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.80  72.33 199.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.276  0.457  0.008     7.6025  4.96
   2      0.611  0.302  0.988     1.3916  4.74
   3      0.607  0.301  0.988     0.6049  4.71
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #32 of 51 (TRIAL #24 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.276  0.457  0.008    -239.77  4.96   0.0      1     7.6025/    7.6025
   2      0.611  0.302  0.988    -242.20  4.74  25.5      2     1.3916/    1.3916
   3      0.608  0.802  0.992    -253.21  4.55  19.9      1    -3.8907/   -3.8907

   SET #13 of 38 TRIAL #33 of 51 (TRIAL #25 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.410  0.809  0.967     1.7194  4.73
   2      0.167  0.450  0.978     1.2179  4.71
   3      0.145  0.495  0.055    -1.7547  4.61

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #33 of 51 (TRIAL #25 of 43 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.167  0.450  0.978    -251.91  4.71   0.0      1     1.2179/    1.2179
   2      0.410  0.809  0.967    -273.53  4.73  18.6      1     1.7194/    1.7194

   SET #13 of 38 TRIAL #34 of 51 (TRIAL #26 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.910  0.719  0.082     7.6176  4.73
   2      0.288  0.853  0.983    -2.3656  4.37

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #34 of 51 (TRIAL #26 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.910  0.719  0.082    -240.36  4.73   0.0      1     7.6176/    7.6176

   SET #13 of 38 TRIAL #35 of 51 (TRIAL #27 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 292.18  70.09 260.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.333  0.582  0.998     5.4025  5.21

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #35 of 51 (TRIAL #27 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.333  0.582  0.998    -248.35  5.21   0.0      1     5.4025/    5.4025

   SET #13 of 38 TRIAL #36 of 51 (TRIAL #28 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  10.10  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.277  0.470  0.997     3.0338  4.75

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #36 of 51 (TRIAL #28 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.277  0.470  0.997    -248.31  4.75   0.0      1     3.0338/    3.0338

   SET #13 of 38 TRIAL #37 of 51 (TRIAL #29 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.85 140.98   3.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 6 sites over 67.5% of top
   6 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.699  0.349  0.175     7.8361  5.05
   2      0.700  0.852  0.180     5.7904  4.98
   3      0.694  0.340  0.175     4.7210  4.94
   #Sites = 6: output truncated to 3 sites

   Top 6 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #37 of 51 (TRIAL #29 of 43 deep)
   0%   100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.694  0.340  0.175    -241.24  4.94   0.0      2     4.7210/    7.8361
   2      0.696  0.846  0.180    -251.11  4.78  29.0      2     0.1716/    5.7904
   3      0.672  0.015  0.272    -252.40  4.75  20.6      1    -0.7501/   -0.7501
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #38 of 51 (TRIAL #30 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 135.29  42.99 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.345  0.782  0.086     4.4736  5.08
   2      0.344  0.781  0.086     1.7398  4.98
   3      0.118  0.355  0.984    -3.2106  4.81
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #38 of 51 (TRIAL #30 of 43 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.006  0.811  0.154    -233.85  4.67   0.0      2    -7.1885/   -5.5036

   SET #13 of 38 TRIAL #39 of 51 (TRIAL #31 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 190.15  36.13  89.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.226  0.204  0.908     9.9607  5.21
   2      0.226  0.709  0.900     9.7309  5.20
   3      0.733  0.926  0.901    -4.2957  4.72

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #39 of 51 (TRIAL #31 of 43 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.226  0.204  0.908    -234.88  5.21   0.0      1     9.9607/    9.9607
   2      0.226  0.709  0.900    -235.11  5.20  29.0      1     9.7309/    9.7309

   SET #13 of 38 TRIAL #40 of 51 (TRIAL #32 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 269.98  66.12 287.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.370  0.634  0.676     10.884  5.01
   2      0.534  0.540  0.313      3.058  4.73
   3      0.382  0.573  0.110     -3.582  4.49
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #40 of 51 (TRIAL #32 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.370  0.634  0.676    -234.94  5.01   0.0      1     10.884/    10.884
   2      0.534  0.540  0.313    -237.85  4.73  18.7      1      3.058/     3.058
   3      0.382  0.573  0.110    -254.38  4.49  13.1      1     -3.582/    -3.582
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #41 of 51 (TRIAL #33 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 311.21 163.71 333.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 38 TRIAL #42 of 51 (TRIAL #34 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 312.31 138.57   1.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.575  0.576  0.983     0.6797  4.65

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #42 of 51 (TRIAL #34 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.575  0.576  0.983    -235.84  4.65   0.0      1     0.6797/    0.6797

   SET #13 of 38 TRIAL #43 of 51 (TRIAL #35 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 151.16 107.62  93.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.646  0.750  0.978    -8.0618  4.74

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #43 of 51 (TRIAL #35 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.646  0.750  0.978    -269.28  4.74   0.0      1    -8.0618/   -8.0618

   SET #13 of 38 TRIAL #44 of 51 (TRIAL #36 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 196.64  74.51 295.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.296  0.329  0.011    -0.8015  5.14
   2      0.878  0.250  0.869    -8.2795  4.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #44 of 51 (TRIAL #36 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.878  0.250  0.869    -245.26  4.88   0.0      1    -8.2795/   -8.2795
   2      0.296  0.329  0.011    -249.52  5.14  23.3      1    -0.8015/   -0.8015

   SET #13 of 38 TRIAL #45 of 51 (TRIAL #37 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 269.32  68.30 213.14 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.196  0.246  0.062    -10.257  4.71

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #45 of 51 (TRIAL #37 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.196  0.246  0.062    -252.73  4.71   0.0      1    -10.257/   -10.257

   SET #13 of 38 TRIAL #46 of 51 (TRIAL #38 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 346.19 150.73  20.88 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 8 sites over 67.5% of top
   8 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.253  0.466  0.973     3.9635  5.30
   2      0.253  0.962  0.970     1.9019  5.23
   3      0.690  0.477  0.991     1.4253  5.21
   #Sites = 8: output truncated to 3 sites

   Top 8 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #46 of 51 (TRIAL #38 of 43 deep)
   0%    100%
   |=====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 4 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.253  0.466  0.973    -242.23  5.30   0.0      2     3.9635/    3.9635
   2      0.250  0.956  0.969    -245.52  4.98  28.8      2    -5.2857/    1.9019
   3      0.690  0.477  0.991    -247.59  5.21  25.4      1     1.4253/    1.4253
   #SITES = 4: OUTPUT TRUNCATED TO 3 SITES

   SET #13 of 38 TRIAL #47 of 51 (TRIAL #39 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 319.12  77.05 294.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.248  0.576  0.257    -1.0038  5.03

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #47 of 51 (TRIAL #39 of 43 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.248  0.576  0.257    -243.30  5.03   0.0      1    -1.0038/   -1.0038

   SET #13 of 38 TRIAL #48 of 51 (TRIAL #40 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  44.47  40.92 207.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.662  0.203  0.812    -2.4181  4.86
   2      0.219  0.817  0.910    -3.5973  4.82
   3      0.833  0.383  0.791    -8.3908  4.65

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #48 of 51 (TRIAL #40 of 43 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 3 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.662  0.203  0.812    -251.75  4.86   0.0      1    -2.4181/   -2.4181
   2      0.833  0.383  0.791    -256.33  4.65  10.5      1    -8.3908/   -8.3908
   3      0.219  0.817  0.910    -257.52  4.82  26.1      1    -3.5973/   -3.5973

   SET #13 of 38 TRIAL #49 of 51 (TRIAL #41 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 160.16 126.76  11.78 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 55.03 (TFZ=4.8)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #13 of 38 TRIAL #50 of 51 (TRIAL #42 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.03 108.31 140.37 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 137.24 (TFZ=10.6) at Trial #50


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.595  0.453  0.999     137.24 10.64
   2      0.595  0.952  1.000     127.02 10.32

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #50 of 51 (TRIAL #42 of 43 deep)
   0% 100%
   |==| DONE

   445 positions in random selection scored LLG > top TF value!
   There is no signal in the Translation Function search
   Mean has been adjusted downwards



-------------------------------------------------------------------------------------
Advisory: No Signal in Translation Function
-------------------------------------------------------------------------------------



   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.595  0.453  0.999    -390.02 10.64   0.0      1     137.24/    137.24
   2      0.595  0.952  1.000    -401.78 10.32  29.3      1     127.02/    127.02

   SET #13 of 38 TRIAL #51 of 51 (TRIAL #43 of 43 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   2.09 156.83   4.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.158  0.869  0.974     103.01  9.95
   2      0.158  0.369  0.974     101.94  9.91
   3      0.156  0.868  0.975      93.66  9.65
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #13 of 38 TRIAL #51 of 51 (TRIAL #43 of 43 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.156  0.868  0.975    -343.23  9.65   0.0      2     93.656/   103.008
   2      0.157  0.368  0.974    -358.61  9.63  29.2      2     93.045/   101.937


-----------------------------------
DEEP TRANSLATION FUNCTION #14 OF 38
-----------------------------------

   15 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  184.326  100.789  215.399 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.93
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.832   40.915  207.626 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   26.875   87.448   46.798 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #14 of 38
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       -395.32   (41.38)

   SET #14 of 38 TRIAL #1 of 15 (TRIAL #1 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #2 of 15 (TRIAL #2 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #3 of 15 (TRIAL #3 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #4 of 15 (TRIAL #4 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #5 of 15 (TRIAL #5 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #6 of 15 (TRIAL #6 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #7 of 15 (TRIAL #7 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 184.33 100.79 215.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #8 of 15 (TRIAL #8 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #9 of 15 (TRIAL #9 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  20.17 100.17 223.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #10 of 15 (TRIAL #10 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 296.62  72.33 199.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #11 of 15 (TRIAL #11 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #12 of 15 (TRIAL #12 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 240.83  40.92 207.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #13 of 15 (TRIAL #13 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 108.29  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #14 of 38 TRIAL #14 of 15 (TRIAL #14 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.601  0.201  0.999     128.83 10.74
   2      0.601  0.700  0.999     105.77 10.03

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 38 TRIAL #14 of 15 (TRIAL #14 of 15 deep)
   0% 100%
   |==| DONE

   278 positions in random selection scored LLG > top TF value!
   There is no signal in the Translation Function search
   Mean has been adjusted downwards

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.601  0.201  0.999    -395.83 10.74   0.0      1     128.83/    128.83
   2      0.601  0.700  0.999    -426.70 10.03  29.3      1     105.77/    105.77

   SET #14 of 38 TRIAL #15 of 15 (TRIAL #15 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  26.87  87.45  46.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.176  0.740  0.005     72.680  8.51
   2      0.179  0.240  0.005     61.398  8.14

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #14 of 38 TRIAL #15 of 15 (TRIAL #15 of 15 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.179  0.240  0.005    -359.03  8.14   0.0      1     61.398/    61.398
   2      0.176  0.740  0.005    -365.48  8.51  29.2      1     72.680/    72.680


-----------------------------------
DEEP TRANSLATION FUNCTION #15 OF 38
-----------------------------------

   7 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.3 +TNCS PAK=1 LLG=4
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   97.438  102.607  141.254 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.318  115.062  248.527 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #15 of 38
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       -414.77   (46.46)

   SET #15 of 38 TRIAL #1 of 7 (TRIAL #1 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 38 TRIAL #2 of 7 (TRIAL #2 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 38 TRIAL #3 of 7 (TRIAL #3 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 38 TRIAL #4 of 7 (TRIAL #4 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  97.44 102.61 141.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 38 TRIAL #5 of 7 (TRIAL #5 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #15 of 38 TRIAL #6 of 7 (TRIAL #6 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.602  0.197  0.998     105.06 10.25
   2      0.602  0.697  0.998     104.99 10.25

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #15 of 38 TRIAL #6 of 7 (TRIAL #6 of 7 deep)
   0% 100%
   |==| DONE

   320 positions in random selection scored LLG > top TF value!
   There is no signal in the Translation Function search
   Mean has been adjusted downwards

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.697  0.998    -418.07 10.25   0.0      1     104.99/    104.99
   2      0.602  0.197  0.998    -426.17 10.25  29.3      1     105.06/    105.06

   SET #15 of 38 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 209.32 115.06 248.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.242  0.214  0.064     78.390  9.52
   2      0.239  0.714  0.063     68.505  9.21

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #15 of 38 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.242  0.214  0.064    -356.95  9.52   0.0      1     78.390/    78.390
   2      0.239  0.714  0.063    -358.21  9.21  29.2      1     68.505/    68.505


-----------------------------------
DEEP TRANSLATION FUNCTION #16 OF 38
-----------------------------------

   19 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.8 +TNCS PAK=2 LLG=3
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.262   34.019  192.751 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER    9.645  142.428    4.490 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  280.604   37.293  187.795 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.277  109.306  132.503 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  106.463  107.226  118.433 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.320   99.851  225.476 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  287.203  100.108  224.151 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   15.869  109.358  218.616 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 513 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #16 of 38
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       -424.31   (40.79)

   SET #16 of 38 TRIAL #1 of 19 (TRIAL #1 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #2 of 19 (TRIAL #2 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #3 of 19 (TRIAL #3 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #4 of 19 (TRIAL #4 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 296.62  72.33 199.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #5 of 19 (TRIAL #5 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #6 of 19 (TRIAL #6 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 345.26  34.02 192.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #7 of 19 (TRIAL #7 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler   9.64 142.43   4.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #8 of 19 (TRIAL #8 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #9 of 19 (TRIAL #9 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 135.29  42.99 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #10 of 19 (TRIAL #10 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #11 of 19 (TRIAL #11 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 280.60  37.29 187.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #12 of 19 (TRIAL #12 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 104.28 109.31 132.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #13 of 19 (TRIAL #13 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 106.46 107.23 118.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #14 of 19 (TRIAL #14 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 236.68  51.63 166.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #15 of 19 (TRIAL #15 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #16 of 19 (TRIAL #16 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 275.32  99.85 225.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #17 of 19 (TRIAL #17 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 287.20 100.11 224.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #16 of 38 TRIAL #18 of 19 (TRIAL #18 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.603  0.202  1.000     115.16 10.40
   2      0.603  0.701  1.000     111.09 10.27

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #16 of 38 TRIAL #18 of 19 (TRIAL #18 of 19 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.603  0.701  1.000    -422.16 10.27   0.0      1     111.09/    111.09
   2      0.603  0.202  1.000    -425.79 10.40  29.2      1     115.16/    115.16

   SET #16 of 38 TRIAL #19 of 19 (TRIAL #19 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  15.87 109.36 218.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.046  0.786  0.009     73.126  8.45
   2      0.044  0.784  0.009     71.470  8.40
   3      0.048  0.286  0.009     70.718  8.38
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #16 of 38 TRIAL #19 of 19 (TRIAL #19 of 19 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.044  0.784  0.009    -377.99  8.40   0.0      2     71.470/    73.126
   2      0.046  0.285  0.008    -402.58  8.23  29.3      2     66.111/    70.718


-----------------------------------
DEEP TRANSLATION FUNCTION #17 OF 38
-----------------------------------

   11 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=5.0 +TNCS PAK=5 LLG=2
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.79  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC  0.78  1.15 -0.02 BFAC
    23.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.795  111.374  219.733 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.270   85.470  233.506 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   66.427   11.698  115.051 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.243  104.508  135.799 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  191.740  129.444  346.987 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 506 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #17 of 38
   0%     100%
   |=======| DONE

   Mean Score (Sigma):       -407.51   (44.13)

   SET #17 of 38 TRIAL #1 of 11 (TRIAL #1 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #2 of 11 (TRIAL #2 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #3 of 11 (TRIAL #3 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #4 of 11 (TRIAL #4 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #5 of 11 (TRIAL #5 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #6 of 11 (TRIAL #6 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler   5.79 111.37 219.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #7 of 11 (TRIAL #7 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #8 of 11 (TRIAL #8 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 278.27  85.47 233.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #9 of 11 (TRIAL #9 of 11 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  66.43  11.70 115.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #17 of 38 TRIAL #10 of 11 (TRIAL #10 of 11 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 270.24 104.51 135.80 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 3 sites over 67.5% of top
   3 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.823  0.012  0.998     116.51 10.36
   2      0.821  0.513  1.000     114.31 10.29
   3      0.821  0.511  0.998     100.49  9.86

   Top 3 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #17 of 38 TRIAL #10 of 11 (TRIAL #10 of 11 deep)
   0% 100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.821  0.511  0.998    -394.47  9.86   0.0      2     100.49/    114.31
   2      0.823  0.012  0.998    -401.02 10.36  29.3      1     116.51/    116.51

   SET #17 of 38 TRIAL #11 of 11 (TRIAL #11 of 11 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 191.74 129.44 346.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.287  0.652  0.983     92.437  8.90
   2      0.286  0.154  0.983     90.774  8.85
   3      0.287  0.155  0.983     90.622  8.84
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #17 of 38 TRIAL #11 of 11 (TRIAL #11 of 11 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.287  0.652  0.983    -363.74  8.90   0.0      2     92.437/    92.437
   2      0.286  0.154  0.983    -371.25  8.85  29.2      2     90.774/    90.774


-----------------------------------
DEEP TRANSLATION FUNCTION #18 OF 38
-----------------------------------

   30 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.6 +TNCS PAK=8 LLG=1
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC -0.35 -0.03 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   18.0  105.0  219.3 FRAC -0.35  0.47 -0.09 BFAC
    25.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.15
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.520   69.404  298.452 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  109.432   26.214  177.971 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.735  112.611   83.611 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.519   79.862   50.372 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.617  132.511  359.050 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.693   39.559  185.471 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  305.048   47.403  181.183 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.262   34.019  192.751 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.277  109.306  132.503 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   16.625  104.385  217.641 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #18 of 38
   0%               100%
   |================| DONE

   Mean Score (Sigma):       -420.49   (36.66)

   SET #18 of 38 TRIAL #1 of 30 (TRIAL #1 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.53 117.02  24.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #2 of 30 (TRIAL #2 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 102.09  15.02 161.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #3 of 30 (TRIAL #3 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #4 of 30 (TRIAL #4 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #5 of 30 (TRIAL #5 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 266.70  13.03 166.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #6 of 30 (TRIAL #6 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #7 of 30 (TRIAL #7 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #8 of 30 (TRIAL #8 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 135.29  42.99 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #9 of 30 (TRIAL #9 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  14.09 123.61 345.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #10 of 30 (TRIAL #10 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #11 of 30 (TRIAL #11 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #12 of 30 (TRIAL #12 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 311.52  69.40 298.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #13 of 30 (TRIAL #13 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 109.43  26.21 177.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #14 of 30 (TRIAL #14 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 317.53  52.62 166.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #15 of 30 (TRIAL #15 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 145.73 112.61  83.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #16 of 30 (TRIAL #16 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #17 of 30 (TRIAL #17 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 207.52  79.86  50.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #18 of 30 (TRIAL #18 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   8.62 132.51 359.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #19 of 30 (TRIAL #19 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 126.10 101.83  24.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #20 of 30 (TRIAL #20 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 101.69  39.56 185.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #21 of 30 (TRIAL #21 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 296.62  72.33 199.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #22 of 30 (TRIAL #22 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 305.05  47.40 181.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #23 of 30 (TRIAL #23 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #24 of 30 (TRIAL #24 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #25 of 30 (TRIAL #25 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 236.68  51.63 166.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #26 of 30 (TRIAL #26 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #27 of 30 (TRIAL #27 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 345.26  34.02 192.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #28 of 30 (TRIAL #28 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 104.28 109.31 132.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #18 of 38 TRIAL #29 of 30 (TRIAL #29 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.697  1.000     134.73 11.17
   2      0.599  0.197  0.999     131.45 11.07

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #18 of 38 TRIAL #29 of 30 (TRIAL #29 of 30 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.599  0.697  1.000    -381.94 11.17   0.0      1     134.73/    134.73
   2      0.599  0.197  0.999    -398.51 11.07  29.3      1     131.45/    131.45

   SET #18 of 38 TRIAL #30 of 30 (TRIAL #30 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  16.63 104.39 217.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.157  0.965  0.919     69.027  8.16
   2      0.156  0.463  0.919     56.393  7.75

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #18 of 38 TRIAL #30 of 30 (TRIAL #30 of 30 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.157  0.965  0.919    -353.46  8.16   0.0      1     69.027/    69.027
   2      0.156  0.463  0.919    -357.23  7.75  29.2      1     56.393/    56.393


-----------------------------------
DEEP TRANSLATION FUNCTION #19 OF 38
-----------------------------------

   52 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=5.2 +TNCS PAK=2 LLG=1
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   30.6   84.3   48.8 FRAC -0.37  0.28 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   31.2   81.4   48.4 FRAC -0.37 -0.22 -0.01 BFAC
    24.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER   97.329   84.034  235.787 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  3.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  3.21
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   98.798   27.316  176.315 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.446   89.341   28.040 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.896   74.821  202.467 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.217   83.052  237.158 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.078   74.821  202.467 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.985   67.549  312.592 RFZ  2.57
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.016   51.056  180.457 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER   76.484   77.834   32.508 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  198.906  125.550  345.230 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  205.099   92.575   53.130 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.857   97.107  234.106 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.408  103.967   21.508 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  335.161  154.261  328.399 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.236  159.034  330.026 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.440  144.687  264.439 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.520   69.404  298.452 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   86.406   37.258   91.770 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  101.966  134.713  344.511 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  349.353   58.863  168.020 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   11.207   38.406  186.568 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  297.958   21.762  153.851 RFZ  2.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   41.735   98.212  231.301 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.32
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.540  107.143  139.391 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.645   84.346   48.795 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 540 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #19 of 38
   0%                           100%
   |============================| DONE

   Mean Score (Sigma):       -389.15   (36.47)

   SET #19 of 38 TRIAL #3 of 54 (TRIAL #1 of 52 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #4 of 54 (TRIAL #2 of 52 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #5 of 54 (TRIAL #3 of 52 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  97.33  84.03 235.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #6 of 54 (TRIAL #4 of 52 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #7 of 54 (TRIAL #5 of 52 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 218.31  78.81  46.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #8 of 54 (TRIAL #6 of 52 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #9 of 54 (TRIAL #7 of 52 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  20.17 100.17 223.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #10 of 54 (TRIAL #8 of 52 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  99.02  35.21 190.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #11 of 54 (TRIAL #9 of 52 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #12 of 54 (TRIAL #10 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  98.80  27.32 176.32 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #13 of 54 (TRIAL #11 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #14 of 54 (TRIAL #12 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #15 of 54 (TRIAL #13 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 317.53  52.62 166.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #16 of 54 (TRIAL #14 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #17 of 54 (TRIAL #15 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 175.45  89.34  28.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #18 of 54 (TRIAL #16 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 155.54 128.89 358.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #19 of 54 (TRIAL #17 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.53 117.02  24.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #20 of 54 (TRIAL #18 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #21 of 54 (TRIAL #19 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 240.22  41.34 167.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #22 of 54 (TRIAL #20 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  87.90  74.82 202.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #23 of 54 (TRIAL #21 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.22  83.05 237.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #24 of 54 (TRIAL #22 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 186.08  74.82 202.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #25 of 54 (TRIAL #23 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 317.98  67.55 312.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #26 of 54 (TRIAL #24 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 192.02  51.06 180.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #27 of 54 (TRIAL #25 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #28 of 54 (TRIAL #26 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  76.48  77.83  32.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #29 of 54 (TRIAL #27 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 198.91 125.55 345.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #30 of 54 (TRIAL #28 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 205.10  92.57  53.13 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #31 of 54 (TRIAL #29 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  10.10  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #32 of 54 (TRIAL #30 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  14.09 123.61 345.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #33 of 54 (TRIAL #31 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.63 130.87 358.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #34 of 54 (TRIAL #32 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 284.86  97.11 234.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #35 of 54 (TRIAL #33 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 146.41 103.97  21.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #36 of 54 (TRIAL #34 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  32.40  63.53 206.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #37 of 54 (TRIAL #35 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 158.57 141.16  29.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #38 of 54 (TRIAL #36 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 335.16 154.26 328.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #39 of 54 (TRIAL #37 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 298.24 159.03 330.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #40 of 54 (TRIAL #38 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.44 144.69 264.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #41 of 54 (TRIAL #39 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 311.52  69.40 298.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #42 of 54 (TRIAL #40 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  86.41  37.26  91.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #43 of 54 (TRIAL #41 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 296.62  72.33 199.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #44 of 54 (TRIAL #42 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 101.97 134.71 344.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #45 of 54 (TRIAL #43 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 349.35  58.86 168.02 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #46 of 54 (TRIAL #44 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  11.21  38.41 186.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #47 of 54 (TRIAL #45 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #48 of 54 (TRIAL #46 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 297.96  21.76 153.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #49 of 54 (TRIAL #47 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #50 of 54 (TRIAL #48 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  41.74  98.21 231.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #51 of 54 (TRIAL #49 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 345.37 136.02 344.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #52 of 54 (TRIAL #50 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 135.29  42.99 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #19 of 38 TRIAL #53 of 54 (TRIAL #51 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.54 107.14 139.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.557  0.259  0.000     126.96 10.41
   2      0.557  0.759  0.000     124.74 10.34

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 38 TRIAL #53 of 54 (TRIAL #51 of 52 deep)
   0% 100%
   |==| DONE

   292 positions in random selection scored LLG > top TF value!
   There is no signal in the Translation Function search
   Mean has been adjusted downwards

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.557  0.759  0.000    -389.39 10.34   0.0      1     124.74/    124.74
   2      0.557  0.259  0.000    -391.92 10.41  29.3      1     126.96/    126.96

   SET #19 of 38 TRIAL #54 of 54 (TRIAL #52 of 52 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  30.65  84.35  48.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.129  0.779  0.996     77.781  7.86
   2      0.130  0.281  0.995     60.896  7.31

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #19 of 38 TRIAL #54 of 54 (TRIAL #52 of 52 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.129  0.779  0.996    -328.01  7.86   0.0      1     77.781/    77.781


-----------------------------------
DEEP TRANSLATION FUNCTION #20 OF 38
-----------------------------------

   24 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6 LLG=-0
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.29
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  323.944   80.285   51.634 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER    8.617  132.511  359.050 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  173.741   76.825  205.670 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.450   88.583  206.258 RFZ  2.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.520   69.404  298.452 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.406   37.258   91.770 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.236  159.034  330.026 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.197  107.070  139.171 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.728   88.558   52.751 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 500 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #20 of 38
   0%            100%
   |==============| DONE

   Mean Score (Sigma):       -391.31   (39.57)

   SET #20 of 38 TRIAL #2 of 25 (TRIAL #1 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #3 of 25 (TRIAL #2 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #4 of 25 (TRIAL #3 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #5 of 25 (TRIAL #4 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #6 of 25 (TRIAL #5 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 194.23 100.05 224.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #7 of 25 (TRIAL #6 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 345.37 136.02 344.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #8 of 25 (TRIAL #7 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 158.57 141.16  29.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #9 of 25 (TRIAL #8 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 209.53 117.02  24.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #10 of 25 (TRIAL #9 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 323.94  80.28  51.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #11 of 25 (TRIAL #10 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #12 of 25 (TRIAL #11 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #13 of 25 (TRIAL #12 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 108.29  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #14 of 25 (TRIAL #13 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 236.68  51.63 166.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #15 of 25 (TRIAL #14 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   8.62 132.51 359.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #16 of 25 (TRIAL #15 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 173.74  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #17 of 25 (TRIAL #16 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 196.45  88.58 206.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #18 of 25 (TRIAL #17 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 311.52  69.40 298.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #19 of 25 (TRIAL #18 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #20 of 25 (TRIAL #19 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  14.41  37.26  91.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #21 of 25 (TRIAL #20 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 298.24 159.03 330.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #22 of 25 (TRIAL #21 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #23 of 25 (TRIAL #22 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #20 of 38 TRIAL #24 of 25 (TRIAL #23 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.20 107.07 139.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 137.24 (TFZ=10.6)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.622  0.194  0.999     128.82 10.68
   2      0.622  0.694  0.999     124.28 10.54

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #20 of 38 TRIAL #24 of 25 (TRIAL #23 of 24 deep)
   0% 100%
   |==| DONE

   385 positions in random selection scored LLG > top TF value!
   There is no signal in the Translation Function search
   Mean has been adjusted downwards

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.622  0.194  0.999    -415.83 10.68   0.0      1     128.82/    128.82
   2      0.622  0.694  0.999    -416.60 10.54  29.3      1     124.28/    124.28

   SET #20 of 38 TRIAL #25 of 25 (TRIAL #24 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  33.73  88.56  52.75 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 145.11 (TFZ=10.7) at Trial #25


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.260  0.199  0.888     145.11 10.65
   2      0.261  0.699  0.888     115.60  9.73

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #20 of 38 TRIAL #25 of 25 (TRIAL #24 of 24 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.260  0.199  0.888    -308.36 10.65   0.0      1     145.11/    145.11
   2      0.261  0.699  0.888    -344.51  9.73  29.3      1     115.60/    115.60


-----------------------------------
DEEP TRANSLATION FUNCTION #21 OF 38
-----------------------------------

   30 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RFZ=3.5 TFZ=5.5 +TNCS PAK=2 LLG=-2
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   27.4   85.4   46.9 FRAC -0.21  0.12 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER   29.9   85.4   48.4 FRAC -0.21 -0.38 -0.00 BFAC
    25.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.50
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   97.329   84.034  235.787 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  3.12
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  296.618   72.334  199.617 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.403   91.282   50.440 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   11.207   38.406  186.568 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  284.857   97.107  234.106 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  198.906  125.550  345.230 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   94.230   31.772  198.152 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.016   51.056  180.457 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.371  136.025  344.578 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  175.446   89.341   28.040 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  350.262  128.827   28.369 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.795  106.998  138.434 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.406   85.435   46.931 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #21 of 38
   0%               100%
   |================| DONE

   Mean Score (Sigma):       -408.50   (37.46)

   SET #21 of 38 TRIAL #1 of 30 (TRIAL #1 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #2 of 30 (TRIAL #2 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #3 of 30 (TRIAL #3 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #4 of 30 (TRIAL #4 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  97.33  84.03 235.79 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #5 of 30 (TRIAL #5 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #6 of 30 (TRIAL #6 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 218.31  78.81  46.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #7 of 30 (TRIAL #7 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  20.17 100.17 223.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #8 of 30 (TRIAL #8 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #9 of 30 (TRIAL #9 of 30 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 296.62  72.33 199.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #10 of 30 (TRIAL #10 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 317.53  52.62 166.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #11 of 30 (TRIAL #11 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #12 of 30 (TRIAL #12 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.63 130.87 358.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #13 of 30 (TRIAL #13 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 240.22  41.34 167.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #14 of 30 (TRIAL #14 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 215.40  91.28  50.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #15 of 30 (TRIAL #15 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.53 117.02  24.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #16 of 30 (TRIAL #16 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  11.21  38.41 186.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #17 of 30 (TRIAL #17 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #18 of 30 (TRIAL #18 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 284.86  97.11 234.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #19 of 30 (TRIAL #19 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #20 of 30 (TRIAL #20 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 198.91 125.55 345.23 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #21 of 30 (TRIAL #21 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #22 of 30 (TRIAL #22 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  14.09 123.61 345.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #23 of 30 (TRIAL #23 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  94.23  31.77 198.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #24 of 30 (TRIAL #24 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 192.02  51.06 180.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #25 of 30 (TRIAL #25 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #26 of 30 (TRIAL #26 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 345.37 136.02 344.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #27 of 30 (TRIAL #27 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 175.45  89.34  28.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #28 of 30 (TRIAL #28 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 350.26 128.83  28.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #21 of 38 TRIAL #29 of 30 (TRIAL #29 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.80 107.00 138.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.722  0.091  0.001     128.79 10.62
   2      0.723  0.591  0.001     121.96 10.41
   3      0.717  0.085  0.000     106.21  9.91
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #21 of 38 TRIAL #29 of 30 (TRIAL #29 of 30 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.717  0.085  0.000    -352.34  9.91   0.0      3     106.21/    128.79
   2      0.718  0.588  0.000    -374.65  9.77  29.2      2     101.67/    121.96

   SET #21 of 38 TRIAL #30 of 30 (TRIAL #30 of 30 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  27.41  85.43  46.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.296  0.615  0.002     45.197  7.47

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #21 of 38 TRIAL #30 of 30 (TRIAL #30 of 30 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.296  0.615  0.002    -343.64  7.47   0.0      1     45.197/    45.197


-----------------------------------
DEEP TRANSLATION FUNCTION #22 OF 38
-----------------------------------

   9 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=6.3 +TNCS PAK=0 LLG=-3
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.63  0.79  0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   28.1   86.1   49.2 FRAC -0.37  0.28 -0.00 BFAC
    25.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.55
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  3.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.540  107.143  139.391 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.878   85.662   48.831 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #22 of 38
   0%    100%
   |======| DONE

   Mean Score (Sigma):       -394.60   (51.71)

   SET #22 of 38 TRIAL #1 of 9 (TRIAL #1 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 38 TRIAL #2 of 9 (TRIAL #2 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 38 TRIAL #3 of 9 (TRIAL #3 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 38 TRIAL #4 of 9 (TRIAL #4 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 38 TRIAL #5 of 9 (TRIAL #5 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 38 TRIAL #6 of 9 (TRIAL #6 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 38 TRIAL #7 of 9 (TRIAL #7 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 218.31  78.81  46.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #22 of 38 TRIAL #8 of 9 (TRIAL #8 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.54 107.14 139.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.561  0.761  0.000     120.57 10.51
   2      0.561  0.262  0.000     118.27 10.44

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #22 of 38 TRIAL #8 of 9 (TRIAL #8 of 9 deep)
   0% 100%
   |==| DONE

   317 positions in random selection scored LLG > top TF value!
   There is no signal in the Translation Function search
   Mean has been adjusted downwards

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.561  0.761  0.000    -397.94 10.51   0.0      1     120.57/    120.57
   2      0.561  0.262  0.000    -403.15 10.44  29.3      1     118.27/    118.27

   SET #22 of 38 TRIAL #9 of 9 (TRIAL #9 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  27.88  85.66  48.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.129  0.780  0.004     76.613  8.50
   2      0.126  0.777  0.004     64.031  8.08
   3      0.129  0.280  0.003     57.710  7.88
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #22 of 38 TRIAL #9 of 9 (TRIAL #9 of 9 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.129  0.780  0.004    -337.15  8.50   0.0      2     76.613/    76.613


-----------------------------------
DEEP TRANSLATION FUNCTION #23 OF 38
-----------------------------------

   3 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.8 +TNCS PAK=3 LLG=-3
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC -0.33  0.26  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  129.5   74.1   49.1 FRAC -0.33 -0.24  0.03 BFAC
    25.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  4.19
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  131.457   74.235   47.410 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 501 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #23 of 38
   0% 100%
   |===| DONE

   Mean Score (Sigma):       -432.00   (59.58)

   SET #23 of 38 TRIAL #1 of 3 (TRIAL #1 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #23 of 38 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.602  0.196  0.997     92.383 10.25
   2      0.602  0.697  0.999     81.121  9.90

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #23 of 38 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.196  0.997    -386.61 10.25   0.0      1     92.383/    92.383
   2      0.602  0.697  0.999    -407.70  9.90  29.3      1     81.121/    81.121

   SET #23 of 38 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 131.46  74.24  47.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There was 1 site over 67.5% of top
   1 peak selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.171  0.765  0.034     29.969  8.28

   Top 1 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #23 of 38 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There was 1 site over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.171  0.765  0.034    -373.77  8.28   0.0      1     29.969/    29.969


-----------------------------------
DEEP TRANSLATION FUNCTION #24 OF 38
-----------------------------------

   18 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.295  110.814  224.930 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.331  110.866  224.587 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.270   85.470  233.506 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  261.986  161.821  297.081 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.303   67.240   41.636 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.440  144.687  264.439 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.258   59.881  205.743 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.733  105.351  136.910 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.883  128.303  349.747 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #24 of 38
   0%         100%
   |==========| DONE

   Mean Score (Sigma):       -422.85   (40.98)

   SET #24 of 38 TRIAL #1 of 18 (TRIAL #1 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #2 of 18 (TRIAL #2 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #3 of 18 (TRIAL #3 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #4 of 18 (TRIAL #4 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #5 of 18 (TRIAL #5 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler   5.29 110.81 224.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #6 of 18 (TRIAL #6 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.33 110.87 224.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #7 of 18 (TRIAL #7 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #8 of 18 (TRIAL #8 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  20.17 100.17 223.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #9 of 18 (TRIAL #9 of 18 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 278.27  85.47 233.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #10 of 18 (TRIAL #10 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #11 of 18 (TRIAL #11 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 261.99 161.82 297.08 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #12 of 18 (TRIAL #12 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  54.30  67.24  41.64 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #13 of 18 (TRIAL #13 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #14 of 18 (TRIAL #14 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.23 100.05 224.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #15 of 18 (TRIAL #15 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.44 144.69 264.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #16 of 18 (TRIAL #16 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.26  59.88 205.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #24 of 38 TRIAL #17 of 18 (TRIAL #17 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.73 105.35 136.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.547  0.072  0.000     109.61  9.63
   2      0.546  0.571  0.001      98.15  9.28

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #24 of 38 TRIAL #17 of 18 (TRIAL #17 of 18 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.547  0.072  0.000    -391.10  9.63   0.0      1     109.61/    109.61
   2      0.546  0.571  0.001    -396.73  9.28  29.3      1      98.15/     98.15

   SET #24 of 38 TRIAL #18 of 18 (TRIAL #18 of 18 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 192.88 128.30 349.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.015  0.209  0.987     95.107  9.15
   2      0.014  0.710  0.985     89.180  8.96

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #24 of 38 TRIAL #18 of 18 (TRIAL #18 of 18 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.015  0.209  0.987    -365.09  9.15   0.0      1     95.107/    95.107
   2      0.014  0.710  0.985    -378.57  8.96  29.2      1     89.180/    89.180


-----------------------------------
DEEP TRANSLATION FUNCTION #25 OF 38
-----------------------------------

   19 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=5.0 +TNCS PAK=2 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  3.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER   46.675  106.622   18.451 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  290.076   12.762  167.011 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.197  107.070  139.171 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   30.428   84.200   49.243 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 513 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #25 of 38
   0%         100%
   |===========| DONE

   Mean Score (Sigma):       -404.62   (37.84)

   SET #25 of 38 TRIAL #1 of 19 (TRIAL #1 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #2 of 19 (TRIAL #2 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #3 of 19 (TRIAL #3 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #4 of 19 (TRIAL #4 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #5 of 19 (TRIAL #5 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 317.53  52.62 166.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #6 of 19 (TRIAL #6 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 218.31  78.81  46.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #7 of 19 (TRIAL #7 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #8 of 19 (TRIAL #8 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #9 of 19 (TRIAL #9 of 19 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  46.67 106.62  18.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #10 of 19 (TRIAL #10 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #11 of 19 (TRIAL #11 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #12 of 19 (TRIAL #12 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 290.08  12.76 167.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #13 of 19 (TRIAL #13 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 155.54 128.89 358.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #14 of 19 (TRIAL #14 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 126.10 101.83  24.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #15 of 19 (TRIAL #15 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.63 130.87 358.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #16 of 19 (TRIAL #16 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #17 of 19 (TRIAL #17 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #25 of 38 TRIAL #18 of 19 (TRIAL #18 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.20 107.07 139.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.622  0.194  0.000     112.11 10.39
   2      0.622  0.695  1.000     106.80 10.23
   3      0.621  0.193  0.999      92.19  9.77
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #25 of 38 TRIAL #18 of 19 (TRIAL #18 of 19 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.622  0.194  0.000    -384.19 10.39   0.0      2     112.11/    112.11
   2      0.627  0.699  0.000    -393.31  9.64  29.1      2      87.85/    106.80

   SET #25 of 38 TRIAL #19 of 19 (TRIAL #19 of 19 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  30.43  84.20  49.24 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.194  0.212  0.998     111.61  9.50
   2      0.193  0.712  0.998     100.29  9.13

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #25 of 38 TRIAL #19 of 19 (TRIAL #19 of 19 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.194  0.212  0.998    -320.46  9.50   0.0      1     111.61/    111.61
   2      0.193  0.712  0.998    -328.57  9.13  29.3      1     100.29/    100.29


-----------------------------------
DEEP TRANSLATION FUNCTION #26 OF 38
-----------------------------------

   15 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=16 LLG=-5
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.9   72.5   50.3 FRAC  0.45  1.21  0.27 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER   37.4   72.7   49.0 FRAC -0.21  0.73 -0.07 BFAC
    25.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  2.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  285.230   46.312  166.604 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.942  130.775  344.585 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.508  119.830  111.970 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.197  107.070  139.171 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  275.863   72.535   50.265 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #26 of 38
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       -409.13   (43.71)

   SET #26 of 38 TRIAL #1 of 15 (TRIAL #1 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 155.82  50.63 166.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #2 of 15 (TRIAL #2 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #3 of 15 (TRIAL #3 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #4 of 15 (TRIAL #4 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #5 of 15 (TRIAL #5 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #6 of 15 (TRIAL #6 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #7 of 15 (TRIAL #7 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 285.23  46.31 166.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #8 of 15 (TRIAL #8 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #9 of 15 (TRIAL #9 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #10 of 15 (TRIAL #10 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  14.09 123.61 345.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #11 of 15 (TRIAL #11 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  91.94 130.78 344.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #12 of 15 (TRIAL #12 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 317.51 119.83 111.97 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #13 of 15 (TRIAL #13 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.23 100.05 224.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #26 of 38 TRIAL #14 of 15 (TRIAL #14 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.20 107.07 139.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.622  0.690  1.000     127.87 10.97
   2      0.622  0.190  0.000     116.18 10.61

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #26 of 38 TRIAL #14 of 15 (TRIAL #14 of 15 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.622  0.690  1.000    -401.73 10.97   0.0      1     127.87/    127.87
   2      0.622  0.190  0.000    -410.48 10.61  29.3      1     116.18/    116.18

   SET #26 of 38 TRIAL #15 of 15 (TRIAL #15 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 275.86  72.54  50.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-----------------------------------
DEEP TRANSLATION FUNCTION #27 OF 38
-----------------------------------

   9 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2 LLG=-6
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.184   63.445  315.271 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.644   74.512  295.687 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.684  110.133  120.028 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.197  107.070  139.171 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.671   73.682   46.943 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #27 of 38
   0%    100%
   |======| DONE

   Mean Score (Sigma):       -413.50   (47.87)

   SET #27 of 38 TRIAL #1 of 9 (TRIAL #1 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 38 TRIAL #2 of 9 (TRIAL #2 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  10.18  63.44 315.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 38 TRIAL #3 of 9 (TRIAL #3 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 38 TRIAL #4 of 9 (TRIAL #4 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 317.53  52.62 166.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 38 TRIAL #5 of 9 (TRIAL #5 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 196.64  74.51 295.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 38 TRIAL #6 of 9 (TRIAL #6 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 102.68 110.13 120.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 38 TRIAL #7 of 9 (TRIAL #7 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #27 of 38 TRIAL #8 of 9 (TRIAL #8 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 273.20 107.07 139.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.621  0.191  0.999     124.27 10.60
   2      0.621  0.692  0.999     117.36 10.40
   3      0.621  0.191  0.997     113.51 10.28
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #27 of 38 TRIAL #8 of 9 (TRIAL #8 of 9 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.621  0.191  0.997    -377.44 10.28   0.0      2     113.51/    124.27
   2      0.620  0.691  0.997    -387.22 10.09  29.2      2     106.95/    117.36

   SET #27 of 38 TRIAL #9 of 9 (TRIAL #9 of 9 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  32.67  73.68  46.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.209  0.227  0.992     107.27  9.44
   2      0.207  0.728  0.991     102.41  9.29

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #27 of 38 TRIAL #9 of 9 (TRIAL #9 of 9 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.207  0.728  0.991    -317.97  9.29   0.0      1     102.41/    102.41
   2      0.209  0.227  0.992    -326.26  9.44  29.2      1     107.27/    107.27


-----------------------------------
DEEP TRANSLATION FUNCTION #28 OF 38
-----------------------------------

   25 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=4.7 +TNCS PAK=0 LLG=-6
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  3.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.850   89.545   45.433 RFZ  3.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.22
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.406   37.258   91.770 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   27.537   68.732  217.189 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER    5.795  111.374  219.733 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  2.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.408  103.967   21.508 RFZ  2.61
   SOLU TRIAL ENSEMBLE ensemble1 EULER  267.430   99.590  206.032 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  262.138   89.901  212.494 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.175   78.096   42.558 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.420   88.568   40.224 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.54
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.252   88.777  206.901 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.896   74.821  202.467 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  270.243  104.508  135.799 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  192.983  131.251  348.650 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 520 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #28 of 38
   0%             100%
   |==============| DONE

   Mean Score (Sigma):       -413.42   (36.80)

   SET #28 of 38 TRIAL #2 of 26 (TRIAL #1 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #3 of 26 (TRIAL #2 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #4 of 26 (TRIAL #3 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #5 of 26 (TRIAL #4 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  33.85  89.54  45.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #6 of 26 (TRIAL #5 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 190.15  36.13  89.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #7 of 26 (TRIAL #6 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #8 of 26 (TRIAL #7 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  14.41  37.26  91.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #9 of 26 (TRIAL #8 of 25 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  10.10  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #10 of 26 (TRIAL #9 of 25 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #11 of 26 (TRIAL #10 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  27.54  68.73 217.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #12 of 26 (TRIAL #11 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler   5.79 111.37 219.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #13 of 26 (TRIAL #12 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #14 of 26 (TRIAL #13 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 219.04 110.14  32.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #15 of 26 (TRIAL #14 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 146.41 103.97  21.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #16 of 26 (TRIAL #15 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 267.43  99.59 206.03 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #17 of 26 (TRIAL #16 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 262.14  89.90 212.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #18 of 26 (TRIAL #17 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 229.17  78.10  42.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #19 of 26 (TRIAL #18 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 212.42  88.57  40.22 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #20 of 26 (TRIAL #19 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 126.10 101.83  24.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #21 of 26 (TRIAL #20 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 236.68  51.63 166.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #22 of 26 (TRIAL #21 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 241.25  88.78 206.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #23 of 26 (TRIAL #22 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  20.17 100.17 223.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #24 of 26 (TRIAL #23 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  87.90  74.82 202.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 145.11 (TFZ=10.7)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #28 of 38 TRIAL #25 of 26 (TRIAL #24 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 270.24 104.51 135.80 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 147.49 (TFZ=11.2) at Trial #25


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.827  0.517  0.999     147.49 11.17
   2      0.828  0.016  0.998     139.67 10.93
   3      0.830  0.520  0.998     136.75 10.84
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #28 of 38 TRIAL #25 of 26 (TRIAL #24 of 25 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.830  0.520  0.998    -371.92 10.84   0.0      2     136.75/    147.49
   2      0.830  0.019  0.999    -383.41 10.68  29.2      2     131.74/    139.67

   SET #28 of 38 TRIAL #26 of 26 (TRIAL #25 of 25 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 192.98 131.25 348.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 147.49 (TFZ=11.2)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.355  0.408  0.951     104.57  9.02
   2      0.356  0.909  0.952     101.67  8.92

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #28 of 38 TRIAL #26 of 26 (TRIAL #25 of 25 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.355  0.408  0.951    -352.63  9.02   0.0      1     104.57/    104.57
   2      0.356  0.909  0.952    -360.21  8.92  29.3      1     101.67/    101.67


-----------------------------------
DEEP TRANSLATION FUNCTION #29 OF 38
-----------------------------------

   3 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0 LLG=-6
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  4.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.260   88.343   44.824 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 501 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #29 of 38
   0% 100%
   |===| DONE

   Mean Score (Sigma):       -430.84   (66.03)

   SET #29 of 38 TRIAL #1 of 3 (TRIAL #1 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 147.49 (TFZ=11.2)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #29 of 38 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 160.40 (TFZ=11.5) at Trial #2


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.600  0.199  0.999     160.40 11.49
   2      0.600  0.697  1.000     133.36 10.72

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #29 of 38 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.600  0.199  0.999    -378.51 11.49   0.0      1     160.40/    160.40
   2      0.600  0.697  1.000    -398.93 10.72  29.2      1     133.36/    133.36

   SET #29 of 38 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  28.26  88.34  44.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.141  0.623  0.064     86.113  9.71
   2      0.140  0.121  0.064     81.232  9.55

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #29 of 38 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.141  0.623  0.064    -376.15  9.71   0.0      1     86.113/    86.113
   2      0.140  0.121  0.064    -380.72  9.55  29.2      1     81.232/    81.232


-----------------------------------
DEEP TRANSLATION FUNCTION #30 OF 38
-----------------------------------

   8 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.1 +TNCS PAK=3 LLG=-6
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  238.8  158.5    1.2 FRAC  0.38  1.18  0.30 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  357.2  160.8  359.6 FRAC -0.18  0.70 -0.03 BFAC
    24.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER   47.431   51.079  220.363 RFZ  3.45
   SOLU TRIAL ENSEMBLE ensemble1 EULER  334.767   75.249  320.815 RFZ  3.05
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.04
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.004  106.912  138.421 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  238.848  158.541    1.159 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #30 of 38
   0%    100%
   |=====| DONE

   Mean Score (Sigma):       -433.45   (51.03)

   SET #30 of 38 TRIAL #1 of 8 (TRIAL #1 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 38 TRIAL #2 of 8 (TRIAL #2 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 38 TRIAL #3 of 8 (TRIAL #3 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  47.43  51.08 220.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 38 TRIAL #4 of 8 (TRIAL #4 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 334.77  75.25 320.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 38 TRIAL #5 of 8 (TRIAL #5 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 38 TRIAL #6 of 8 (TRIAL #6 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 102.09  15.02 161.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #30 of 38 TRIAL #7 of 8 (TRIAL #7 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.00 106.91 138.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 5 sites over 67.5% of top
   5 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.757  0.282  1.000     134.84 10.99
   2      0.758  0.279  0.999     130.47 10.86
   3      0.756  0.782  0.001     128.07 10.79
   #Sites = 5: output truncated to 3 sites

   Top 5 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #30 of 38 TRIAL #7 of 8 (TRIAL #7 of 8 deep)
   0%  100%
   |====| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.758  0.279  0.999    -394.83 10.86   0.0      2     130.47/    134.84
   2      0.756  0.782  0.001    -403.70 10.79  29.1      3     128.07/    128.07

   SET #30 of 38 TRIAL #8 of 8 (TRIAL #8 of 8 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 238.85 158.54   1.16 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring


-----------------------------------
DEEP TRANSLATION FUNCTION #31 OF 38
-----------------------------------

   15 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13 LLG=-7
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   20.173  100.166  223.819 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.02
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  278.270   85.470  233.506 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER  298.184   63.445  315.271 RFZ  2.79
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.382   21.469  189.549 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.540  107.143  139.391 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   38.388   80.525   49.542 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 510 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #31 of 38
   0%       100%
   |=========| DONE

   Mean Score (Sigma):       -416.70   (42.56)

   SET #31 of 38 TRIAL #1 of 15 (TRIAL #1 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #2 of 15 (TRIAL #2 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #3 of 15 (TRIAL #3 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #4 of 15 (TRIAL #4 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  20.17 100.17 223.82 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #5 of 15 (TRIAL #5 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #6 of 15 (TRIAL #6 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #7 of 15 (TRIAL #7 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #8 of 15 (TRIAL #8 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #9 of 15 (TRIAL #9 of 15 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 278.27  85.47 233.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #10 of 15 (TRIAL #10 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  10.10  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #11 of 15 (TRIAL #11 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #12 of 15 (TRIAL #12 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 298.18  63.44 315.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #13 of 15 (TRIAL #13 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 159.38  21.47 189.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #31 of 38 TRIAL #14 of 15 (TRIAL #14 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.54 107.14 139.39 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.560  0.758  0.000     117.91 10.55
   2      0.560  0.258  0.000     110.18 10.31

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 38 TRIAL #14 of 15 (TRIAL #14 of 15 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.560  0.758  0.000    -408.91 10.55   0.0      1     117.91/    117.91
   2      0.560  0.258  0.000    -417.11 10.31  29.3      1     110.18/    110.18

   SET #31 of 38 TRIAL #15 of 15 (TRIAL #15 of 15 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  38.39  80.52  49.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.986  0.862  0.981     87.121  9.19
   2      0.986  0.365  0.980     67.077  8.54

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #31 of 38 TRIAL #15 of 15 (TRIAL #15 of 15 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.986  0.862  0.981    -333.60  9.19   0.0      1     87.121/    87.121
   2      0.986  0.365  0.980    -345.26  8.54  29.2      1     67.077/    67.077


-----------------------------------
DEEP TRANSLATION FUNCTION #32 OF 38
-----------------------------------

   28 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=4.8 +TNCS PAK=0 LLG=-8
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.273   42.333  167.013 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER   21.657  124.915  358.442 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.89
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.88
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.851  140.979    3.191 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.905   48.724  180.848 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  2.64
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.60
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER   79.811   49.388  180.712 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  350.262  128.827   28.369 RFZ  2.52
   SOLU TRIAL ENSEMBLE ensemble1 EULER  212.254   54.274  167.096 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.197  107.070  139.171 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.789   88.765   45.315 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #32 of 38
   0%              100%
   |===============| DONE

   Mean Score (Sigma):       -402.89   (39.62)

   SET #32 of 38 TRIAL #1 of 28 (TRIAL #1 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #2 of 28 (TRIAL #2 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #3 of 28 (TRIAL #3 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #4 of 28 (TRIAL #4 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 321.27  42.33 167.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #5 of 28 (TRIAL #5 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 236.68  51.63 166.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #6 of 28 (TRIAL #6 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 266.70  13.03 166.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #7 of 28 (TRIAL #7 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  21.66 124.91 358.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #8 of 28 (TRIAL #8 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #9 of 28 (TRIAL #9 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 292.35  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #10 of 28 (TRIAL #10 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.85 140.98   3.19 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #11 of 28 (TRIAL #11 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #12 of 28 (TRIAL #12 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #13 of 28 (TRIAL #13 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 108.29  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #14 of 28 (TRIAL #14 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.91  48.72 180.85 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #15 of 28 (TRIAL #15 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 135.29  42.99 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #16 of 28 (TRIAL #16 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #17 of 28 (TRIAL #17 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.53 117.02  24.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #18 of 28 (TRIAL #18 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 155.82  50.63 166.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #19 of 28 (TRIAL #19 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  99.02  35.21 190.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #20 of 28 (TRIAL #20 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #21 of 28 (TRIAL #21 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 219.04 110.14  32.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #22 of 28 (TRIAL #22 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #23 of 28 (TRIAL #23 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.23 100.05 224.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #24 of 28 (TRIAL #24 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  79.81  49.39 180.71 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #25 of 28 (TRIAL #25 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 350.26 128.83  28.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #26 of 28 (TRIAL #26 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 212.25  54.27 167.10 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 160.40 (TFZ=11.5)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #32 of 38 TRIAL #27 of 28 (TRIAL #27 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.20 107.07 139.17 

   Doing Fast Translation Function FFT...
      Done


   New Top Fast Translation Function FSS = 164.74 (TFZ=11.3) at Trial #27


   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.622  0.195  0.000     164.74 11.32
   2      0.622  0.695  0.000     158.87 11.15

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #32 of 38 TRIAL #27 of 28 (TRIAL #27 of 28 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.622  0.195  0.000    -390.79 11.32   0.0      1     164.74/    164.74
   2      0.622  0.695  0.000    -397.70 11.15  29.3      1     158.87/    158.87

   SET #32 of 38 TRIAL #28 of 28 (TRIAL #28 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.79  88.77  45.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.160  0.106  0.068     142.87 10.95
   2      0.163  0.109  0.068     135.22 10.71
   3      0.160  0.607  0.069     116.94 10.12
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #32 of 38 TRIAL #28 of 28 (TRIAL #28 of 28 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.163  0.109  0.068    -314.28 10.71   0.0      2     135.22/    142.87
   2      0.164  0.611  0.069    -346.49  9.93  29.2      2     110.98/    116.94


-----------------------------------
DEEP TRANSLATION FUNCTION #33 OF 38
-----------------------------------

   66 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4 LLG=-8
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.46
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.903   79.295   48.455 RFZ  3.40
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.35
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.28
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  241.252   88.777  206.901 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  207.519   79.862   50.372 RFZ  3.17
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  3.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.985   78.288  209.145 RFZ  3.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  113.142  100.221  223.486 RFZ  3.01
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  2.96
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.290  121.674  346.058 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  104.277  109.306  132.503 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER  108.286   76.825  205.670 RFZ  2.81
   SOLU TRIAL ENSEMBLE ensemble1 EULER   54.258   42.003  167.071 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER  196.339   13.869  164.035 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  105.491   19.563  155.533 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.65
   SOLU TRIAL ENSEMBLE ensemble1 EULER  269.977   66.124  287.371 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  2.58
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.085  123.606  345.610 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.262   34.019  192.751 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  214.930   61.905  289.305 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  135.294   42.994  166.908 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  159.382   21.469  189.549 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  119.208  163.714  333.602 RFZ  2.44
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.311   79.664   49.736 RFZ  2.43
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  139.646  111.527  108.057 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.747   68.215  286.381 RFZ  2.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  312.313  138.565    1.491 RFZ  2.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER  250.002   22.397  153.462 RFZ  2.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  158.566  141.159   29.662 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.604   68.215  286.381 RFZ  2.36
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  233.372   88.414   34.263 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER   42.626  130.871  358.724 RFZ  2.33
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.137   47.641  166.575 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  337.070   60.161  168.357 RFZ  2.27
   SOLU TRIAL ENSEMBLE ensemble1 EULER  317.529   52.621  166.871 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  329.726   51.296  166.734 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER  160.608  100.763  218.106 RFZ  2.26
   SOLU TRIAL ENSEMBLE ensemble1 EULER   60.479   89.423  209.509 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER   65.576   99.036  228.743 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.459   89.043  207.873 RFZ  2.25
   SOLU TRIAL ENSEMBLE ensemble1 EULER  276.903   33.352  194.114 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER  313.438  102.607  141.254 RFZ  2.24
   SOLU TRIAL ENSEMBLE ensemble1 EULER   91.942  130.775  344.585 RFZ  2.23
   SOLU TRIAL ENSEMBLE ensemble1 EULER   72.484  122.961  345.752 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  2.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  345.324   64.020  288.345 RFZ  2.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER   37.566   24.392  181.358 RFZ  2.14
   SOLU TRIAL ENSEMBLE ensemble1 EULER  306.934  109.721   15.844 RFZ  2.13
   SOLU TRIAL ENSEMBLE ensemble1 EULER  229.375  115.010  136.212 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  140.107   23.187  184.199 RFZ  2.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  154.536   88.435   33.932 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.870   22.293  186.746 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER   51.969   89.122   29.010 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  254.099   33.139  194.586 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  311.208  163.714  333.602 RFZ  2.08
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   28.941   93.116  229.910 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #33 of 38
   0%                                    100%
   |=====================================| DONE

   Mean Score (Sigma):       -404.76   (36.51)

   SET #33 of 38 TRIAL #7 of 72 (TRIAL #1 of 66 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 241.25  88.78 206.90 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #8 of 72 (TRIAL #2 of 66 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 207.52  79.86  50.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #9 of 72 (TRIAL #3 of 66 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 292.35  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #10 of 72 (TRIAL #4 of 66 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  95.98  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #11 of 72 (TRIAL #5 of 66 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  99.02  35.21 190.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #12 of 72 (TRIAL #6 of 66 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #13 of 72 (TRIAL #7 of 66 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 113.14 100.22 223.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #14 of 72 (TRIAL #8 of 66 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #15 of 72 (TRIAL #9 of 66 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 155.82  50.63 166.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #16 of 72 (TRIAL #10 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 189.29 121.67 346.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #17 of 72 (TRIAL #11 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 104.28 109.31 132.50 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #18 of 72 (TRIAL #12 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 108.29  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #19 of 72 (TRIAL #13 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  54.26  42.00 167.07 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #20 of 72 (TRIAL #14 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 196.34  13.87 164.04 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #21 of 72 (TRIAL #15 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 105.49  19.56 155.53 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #22 of 72 (TRIAL #16 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #23 of 72 (TRIAL #17 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.53 117.02  24.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #24 of 72 (TRIAL #18 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 269.98  66.12 287.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #25 of 72 (TRIAL #19 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 225.74 100.26  28.65 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #26 of 72 (TRIAL #20 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #27 of 72 (TRIAL #21 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  14.09 123.61 345.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #28 of 72 (TRIAL #22 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 345.26  34.02 192.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #29 of 72 (TRIAL #23 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 214.93  61.90 289.31 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #30 of 72 (TRIAL #24 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 135.29  42.99 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #31 of 72 (TRIAL #25 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 159.38  21.47 189.55 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #32 of 72 (TRIAL #26 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 119.21 163.71 333.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #33 of 72 (TRIAL #27 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 149.31  79.66  49.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #34 of 72 (TRIAL #28 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  10.10  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #35 of 72 (TRIAL #29 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 139.65 111.53 108.06 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #36 of 72 (TRIAL #30 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 190.15  36.13  89.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #37 of 72 (TRIAL #31 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  91.75  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #38 of 72 (TRIAL #32 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 312.31 138.57   1.49 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #39 of 72 (TRIAL #33 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 250.00  22.40 153.46 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #40 of 72 (TRIAL #34 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 158.57 141.16  29.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #41 of 72 (TRIAL #35 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.60  68.22 286.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #42 of 72 (TRIAL #36 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 126.10 101.83  24.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #43 of 72 (TRIAL #37 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 233.37  88.41  34.26 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #44 of 72 (TRIAL #38 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  42.63 130.87 358.72 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #45 of 72 (TRIAL #39 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #46 of 72 (TRIAL #40 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 273.14  47.64 166.57 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #47 of 72 (TRIAL #41 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 337.07  60.16 168.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #48 of 72 (TRIAL #42 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 317.53  52.62 166.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #49 of 72 (TRIAL #43 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 329.73  51.30 166.73 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #50 of 72 (TRIAL #44 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 160.61 100.76 218.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #51 of 72 (TRIAL #45 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  60.48  89.42 209.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #52 of 72 (TRIAL #46 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  65.58  99.04 228.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #53 of 72 (TRIAL #47 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 308.46  89.04 207.87 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #54 of 72 (TRIAL #48 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 276.90  33.35 194.11 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #55 of 72 (TRIAL #49 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 313.44 102.61 141.25 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #56 of 72 (TRIAL #50 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  91.94 130.78 344.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #57 of 72 (TRIAL #51 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  72.48 122.96 345.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #58 of 72 (TRIAL #52 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  32.40  63.53 206.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #59 of 72 (TRIAL #53 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 345.32  64.02 288.34 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #60 of 72 (TRIAL #54 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  37.57  24.39 181.36 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #61 of 72 (TRIAL #55 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 306.93 109.72  15.84 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #62 of 72 (TRIAL #56 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 229.37 115.01 136.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #63 of 72 (TRIAL #57 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 140.11  23.19 184.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #64 of 72 (TRIAL #58 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 155.54 128.89 358.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #65 of 72 (TRIAL #59 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 154.54  88.43  33.93 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #66 of 72 (TRIAL #60 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #67 of 72 (TRIAL #61 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 149.87  22.29 186.75 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #68 of 72 (TRIAL #62 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  51.97  89.12  29.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #69 of 72 (TRIAL #63 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 254.10  33.14 194.59 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #70 of 72 (TRIAL #64 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 311.21 163.71 333.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #33 of 38 TRIAL #71 of 72 (TRIAL #65 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.599  0.694  0.998     127.40 10.40
   2      0.599  0.195  0.998     123.49 10.27

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #71 of 72 (TRIAL #65 of 66 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.599  0.694  0.998    -369.96 10.40   0.0      1     127.40/    127.40
   2      0.599  0.195  0.998    -378.52 10.27  29.3      1     123.49/    123.49

   SET #33 of 38 TRIAL #72 of 72 (TRIAL #66 of 66 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  28.94  93.12 229.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.133  0.095  0.075     106.25  9.00
   2      0.133  0.595  0.073     103.41  8.91

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #33 of 38 TRIAL #72 of 72 (TRIAL #66 of 66 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.133  0.095  0.075    -326.22  9.00   0.0      1     106.25/    106.25
   2      0.133  0.595  0.073    -338.55  8.91  29.2      1     103.41/    103.41


-----------------------------------
DEEP TRANSLATION FUNCTION #34 OF 38
-----------------------------------

   7 trial orientations in deep search

   Space Group: P 32

   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.2 TFZ=5.4 +TNCS PAK=2 LLG=-10
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  3.37
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.197  107.070  139.171 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  352.405  158.913  356.611 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #34 of 38
   0%   100%
   |=====| DONE

   Mean Score (Sigma):       -398.75   (55.98)

   SET #34 of 38 TRIAL #1 of 7 (TRIAL #1 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #34 of 38 TRIAL #2 of 7 (TRIAL #2 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #34 of 38 TRIAL #3 of 7 (TRIAL #3 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 308.75  98.10 231.62 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #34 of 38 TRIAL #4 of 7 (TRIAL #4 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #34 of 38 TRIAL #5 of 7 (TRIAL #5 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #34 of 38 TRIAL #6 of 7 (TRIAL #6 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 273.20 107.07 139.17 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.627  0.196  0.999     97.034 10.08
   2      0.628  0.196  0.000     92.231  9.93
   3      0.627  0.695  0.999     89.557  9.85
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #34 of 38 TRIAL #6 of 7 (TRIAL #6 of 7 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.628  0.196  0.000    -396.88  9.93   0.0      2     92.231/    97.034
   2      0.629  0.696  0.000    -401.03  9.71  29.3      2     85.136/    89.557

   SET #34 of 38 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 352.40 158.91 356.61 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 4 sites over 67.5% of top
   4 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.162  0.109  0.969     68.203  9.14
   2      0.160  0.607  0.969     66.505  9.09
   3      0.158  0.603  0.969     63.990  9.01
   #Sites = 4: output truncated to 3 sites

   Top 4 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #34 of 38 TRIAL #7 of 7 (TRIAL #7 of 7 deep)
   0%  100%
   |===| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.158  0.603  0.969    -338.93  9.01   0.0      2     63.990/    66.505
   2      0.162  0.109  0.969    -348.29  9.14  29.1      2     68.203/    68.203


-----------------------------------
DEEP TRANSLATION FUNCTION #35 OF 38
-----------------------------------

   3 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2 LLG=-10
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.10
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  187.322  127.720  341.737 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 501 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #35 of 38
   0% 100%
   |===| DONE

   Mean Score (Sigma):       -434.47   (61.75)

   SET #35 of 38 TRIAL #1 of 3 (TRIAL #1 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #35 of 38 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.603  0.198  0.997     105.72 10.47
   2      0.602  0.697  0.999     102.51 10.37

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #35 of 38 TRIAL #2 of 3 (TRIAL #2 of 3 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.697  0.999    -406.71 10.37   0.0      1     102.51/    102.51
   2      0.603  0.198  0.997    -407.98 10.47  29.3      1     105.72/    105.72

   SET #35 of 38 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   ------------------------------------------------
   Ensemble ensemble1 Euler 187.32 127.72 341.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.982  0.219  0.042     79.202  9.63
   2      0.983  0.719  0.043     77.281  9.57

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #35 of 38 TRIAL #3 of 3 (TRIAL #3 of 3 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.982  0.219  0.042    -338.93  9.63   0.0      1     79.202/    79.202
   2      0.983  0.719  0.043    -346.96  9.57  29.3      1     77.281/    77.281


-----------------------------------
DEEP TRANSLATION FUNCTION #36 OF 38
-----------------------------------

   14 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.0 +TNCS PAK=2 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU TRIAL ENSEMBLE ensemble1 EULER  163.213   59.512  168.185 RFZ  3.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  3.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  3.41
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  3.34
   SOLU TRIAL ENSEMBLE ensemble1 EULER   29.797   97.743  232.558 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER   33.850   89.545   45.433 RFZ  2.99
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  2.95
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER   14.406   37.258   91.770 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  209.532  117.025   24.773 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   87.896   74.821  202.467 RFZ  2.68
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  188.937  126.071  343.410 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #36 of 38
   0%       100%
   |========| DONE

   Mean Score (Sigma):       -432.86   (45.19)

   SET #36 of 38 TRIAL #1 of 14 (TRIAL #1 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 163.21  59.51 168.18 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #2 of 14 (TRIAL #2 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  43.73  78.41  44.54 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #3 of 14 (TRIAL #3 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 292.35  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #4 of 14 (TRIAL #4 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #5 of 14 (TRIAL #5 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  29.80  97.74 232.56 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #6 of 14 (TRIAL #6 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  33.85  89.54  45.43 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #7 of 14 (TRIAL #7 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 102.09  15.02 161.58 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #8 of 14 (TRIAL #8 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #9 of 14 (TRIAL #9 of 14 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 190.15  36.13  89.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #10 of 14 (TRIAL #10 of 14 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  14.41  37.26  91.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #11 of 14 (TRIAL #11 of 14 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 209.53 117.02  24.77 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #12 of 14 (TRIAL #12 of 14 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  87.90  74.82 202.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #36 of 38 TRIAL #13 of 14 (TRIAL #13 of 14 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.603  0.202  0.999     104.78 10.05
   2      0.603  0.702  0.999      94.42  9.72

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #36 of 38 TRIAL #13 of 14 (TRIAL #13 of 14 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.603  0.202  0.999    -409.11 10.05   0.0      1     104.78/    104.78
   2      0.603  0.702  0.999    -420.84  9.72  29.3      1      94.42/     94.42

   SET #36 of 38 TRIAL #14 of 14 (TRIAL #14 of 14 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 188.94 126.07 343.41 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.131  0.603  0.945     66.904  8.37
   2      0.130  0.100  0.946     62.343  8.21

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #36 of 38 TRIAL #14 of 14 (TRIAL #14 of 14 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.131  0.603  0.945    -342.83  8.37   0.0      1     66.904/    66.904
   2      0.130  0.100  0.946    -353.07  8.21  29.2      1     62.343/    62.343


-----------------------------------
DEEP TRANSLATION FUNCTION #37 OF 38
-----------------------------------

   28 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.3 +TNCS PAK=0 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  3.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  240.218   41.344  167.200 RFZ  3.39
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  324.196  141.273    3.435 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.815   50.632  166.680 RFZ  3.16
   SOLU TRIAL ENSEMBLE ensemble1 EULER  146.704  145.660    8.439 RFZ  3.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  2.94
   SOLU TRIAL ENSEMBLE ensemble1 EULER  248.858   50.300  166.658 RFZ  2.90
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.985   78.288  209.145 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.85
   SOLU TRIAL ENSEMBLE ensemble1 EULER  145.097  125.909  358.401 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   34.074  112.690   28.051 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.233  100.047  224.483 RFZ  2.76
   SOLU TRIAL ENSEMBLE ensemble1 EULER  357.803   78.288  209.145 RFZ  2.75
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  2.74
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  2.73
   SOLU TRIAL ENSEMBLE ensemble1 EULER  219.042  110.144   32.992 RFZ  2.72
   SOLU TRIAL ENSEMBLE ensemble1 EULER  348.567   38.124  186.862 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  172.820   14.153  163.376 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER   99.021   35.209  190.664 RFZ  2.71
   SOLU TRIAL ENSEMBLE ensemble1 EULER  200.252  130.212  358.627 RFZ  2.70
   SOLU TRIAL ENSEMBLE ensemble1 EULER  271.922   76.825  205.670 RFZ  2.69
   SOLU TRIAL ENSEMBLE ensemble1 EULER   31.118   15.901  160.014 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.104   76.825  205.670 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.291  106.419  139.087 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER   18.167  103.980  219.523 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 504 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #37 of 38
   0%              100%
   |===============| DONE

   Mean Score (Sigma):       -391.70   (36.48)

   SET #37 of 38 TRIAL #1 of 28 (TRIAL #1 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 266.70  13.03 166.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #2 of 28 (TRIAL #2 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 240.22  41.34 167.20 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #3 of 28 (TRIAL #3 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 206.10  65.52 208.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #4 of 28 (TRIAL #4 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 324.20 141.27   3.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #5 of 28 (TRIAL #5 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 155.82  50.63 166.68 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #6 of 28 (TRIAL #6 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 146.70 145.66   8.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #7 of 28 (TRIAL #7 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  50.58  52.29 166.83 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #8 of 28 (TRIAL #8 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler 248.86  50.30 166.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #9 of 28 (TRIAL #9 of 28 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  95.98  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #10 of 28 (TRIAL #10 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 126.10 101.83  24.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #11 of 28 (TRIAL #11 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 145.10 125.91 358.40 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #12 of 28 (TRIAL #12 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  34.07 112.69  28.05 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #13 of 28 (TRIAL #13 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.23 100.05 224.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #14 of 28 (TRIAL #14 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 357.80  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #15 of 28 (TRIAL #15 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #16 of 28 (TRIAL #16 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 292.35  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #17 of 28 (TRIAL #17 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  32.40  63.53 206.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #18 of 28 (TRIAL #18 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 219.04 110.14  32.99 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #19 of 28 (TRIAL #19 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 348.57  38.12 186.86 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #20 of 28 (TRIAL #20 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #21 of 28 (TRIAL #21 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 172.82  14.15 163.38 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #22 of 28 (TRIAL #22 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  99.02  35.21 190.66 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #23 of 28 (TRIAL #23 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 200.25 130.21 358.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #24 of 28 (TRIAL #24 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 271.92  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #25 of 28 (TRIAL #25 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  31.12  15.90 160.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #26 of 28 (TRIAL #26 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  10.10  76.82 205.67 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #37 of 38 TRIAL #27 of 28 (TRIAL #27 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.29 106.42 139.09 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.602  0.199  1.000     146.65 11.32
   2      0.602  0.699  0.001     132.62 10.88

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #37 of 38 TRIAL #27 of 28 (TRIAL #27 of 28 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.602  0.199  1.000    -358.53 11.32   0.0      1     146.65/    146.65
   2      0.602  0.699  0.001    -369.23 10.88  29.3      1     132.62/    132.62

   SET #37 of 38 TRIAL #28 of 28 (TRIAL #28 of 28 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  18.17 103.98 219.52 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.052  0.653  0.019     79.207  8.78
   2      0.054  0.152  0.019     75.333  8.66

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #37 of 38 TRIAL #28 of 28 (TRIAL #28 of 28 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.052  0.653  0.019    -365.50  8.78   0.0      1     79.207/    79.207
   2      0.054  0.152  0.019    -374.01  8.66  29.2      1     75.333/    75.333


-----------------------------------
DEEP TRANSLATION FUNCTION #38 OF 38
-----------------------------------

   24 trial orientations in deep search

   Space Group: P 31

   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10 LLG=-11
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU TRIAL ENSEMBLE ensemble1 EULER   43.734   78.411   44.544 RFZ  4.07
   SOLU TRIAL ENSEMBLE ensemble1 EULER  292.348   78.288  209.145 RFZ  3.83
   SOLU TRIAL ENSEMBLE ensemble1 EULER  206.098   65.517  208.451 RFZ  3.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  273.258   59.881  205.743 RFZ  3.31
   SOLU TRIAL ENSEMBLE ensemble1 EULER  225.740  100.264   28.652 RFZ  3.20
   SOLU TRIAL ENSEMBLE ensemble1 EULER  308.752   98.098  231.617 RFZ  3.18
   SOLU TRIAL ENSEMBLE ensemble1 EULER   50.580   52.290  166.833 RFZ  3.11
   SOLU TRIAL ENSEMBLE ensemble1 EULER  102.087   15.018  161.577 RFZ  3.09
   SOLU TRIAL ENSEMBLE ensemble1 EULER   32.401   63.526  206.923 RFZ  3.03
   SOLU TRIAL ENSEMBLE ensemble1 EULER  194.166   78.288  209.145 RFZ  2.97
   SOLU TRIAL ENSEMBLE ensemble1 EULER  218.309   78.811   46.510 RFZ  2.92
   SOLU TRIAL ENSEMBLE ensemble1 EULER  224.476   52.952  166.911 RFZ  2.87
   SOLU TRIAL ENSEMBLE ensemble1 EULER  190.147   36.135   89.885 RFZ  2.84
   SOLU TRIAL ENSEMBLE ensemble1 EULER   10.184   63.445  315.271 RFZ  2.82
   SOLU TRIAL ENSEMBLE ensemble1 EULER  126.101  101.827   24.936 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  350.262  128.827   28.369 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  155.542  128.891  358.483 RFZ  2.80
   SOLU TRIAL ENSEMBLE ensemble1 EULER  236.678   51.628  166.764 RFZ  2.77
   SOLU TRIAL ENSEMBLE ensemble1 EULER  202.078   78.133   86.452 RFZ  2.67
   SOLU TRIAL ENSEMBLE ensemble1 EULER  283.958   92.732   53.422 RFZ  2.66
   SOLU TRIAL ENSEMBLE ensemble1 EULER  147.181  112.259   28.597 RFZ  2.63
   SOLU TRIAL ENSEMBLE ensemble1 EULER  171.115  130.975   34.625 RFZ  2.59
   SOLU TRIAL ENSEMBLE ensemble1 EULER  318.126  125.361  143.957 RFZ  2.53
   SOLU TRIAL ENSEMBLE ensemble1 EULER  186.078   74.821  202.467 RFZ  2.51
   SOLU TRIAL ENSEMBLE ensemble1 EULER  215.403   91.282   50.440 RFZ  2.49
   SOLU TRIAL ENSEMBLE ensemble1 EULER  149.311   79.664   49.736 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  321.273   42.333  167.013 RFZ  2.48
   SOLU TRIAL ENSEMBLE ensemble1 EULER  266.696   13.034  166.212 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER   95.985   78.288  209.145 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  208.653  129.465  344.692 RFZ  2.47
   SOLU TRIAL ENSEMBLE ensemble1 EULER  272.262  105.870  137.302 RFZ  0.00
   SOLU TRIAL ENSEMBLE ensemble1 EULER  189.872  128.701  346.116 RFZ  0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Scoring 512 randomly sampled orientations and translations
   Spreading calculation onto 2 threads.
   Generating Statistics for TF SET #38 of 38
   0%                100%
   |=================| DONE

   Mean Score (Sigma):       -393.22   (36.04)

   SET #38 of 38 TRIAL #9 of 32 (TRIAL #1 of 24 deep)
   --------------------------------------------------
   Ensemble ensemble1 Euler  32.40  63.53 206.92 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #10 of 32 (TRIAL #2 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 194.17  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #11 of 32 (TRIAL #3 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 218.31  78.81  46.51 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #12 of 32 (TRIAL #4 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 224.48  52.95 166.91 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #13 of 32 (TRIAL #5 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 190.15  36.13  89.89 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #14 of 32 (TRIAL #6 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler  10.18  63.44 315.27 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #15 of 32 (TRIAL #7 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 126.10 101.83  24.94 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #16 of 32 (TRIAL #8 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 350.26 128.83  28.37 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #17 of 32 (TRIAL #9 of 24 deep)
   ---------------------------------------------------
   Ensemble ensemble1 Euler 155.54 128.89 358.48 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #18 of 32 (TRIAL #10 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 236.68  51.63 166.76 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #19 of 32 (TRIAL #11 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 202.08  78.13  86.45 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #20 of 32 (TRIAL #12 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 283.96  92.73  53.42 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #21 of 32 (TRIAL #13 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 147.18 112.26  28.60 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #22 of 32 (TRIAL #14 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 171.12 130.97  34.63 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #23 of 32 (TRIAL #15 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 318.13 125.36 143.96 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #24 of 32 (TRIAL #16 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 186.08  74.82 202.47 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #25 of 32 (TRIAL #17 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 215.40  91.28  50.44 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #26 of 32 (TRIAL #18 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 149.31  79.66  49.74 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #27 of 32 (TRIAL #19 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 321.27  42.33 167.01 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #28 of 32 (TRIAL #20 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 266.70  13.03 166.21 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #29 of 32 (TRIAL #21 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler  95.98  78.29 209.15 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #30 of 32 (TRIAL #22 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 208.65 129.46 344.69 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   No peaks within selection criteria
   No translations within selection criteria for rescoring

   SET #38 of 38 TRIAL #31 of 32 (TRIAL #23 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 272.26 105.87 137.30 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.654  0.559  0.999     137.94 10.30
   2      0.656  0.058  0.999     131.86 10.11

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #31 of 32 (TRIAL #23 of 24 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.654  0.559  0.999    -373.19 10.30   0.0      1     137.94/    137.94
   2      0.656  0.058  0.999    -395.57 10.11  29.2      1     131.86/    131.86

   SET #38 of 38 TRIAL #32 of 32 (TRIAL #24 of 24 deep)
   ----------------------------------------------------
   Ensemble ensemble1 Euler 189.87 128.70 346.12 

   Doing Fast Translation Function FFT...
      Done

   Current Top Fast Translation Function FSS = 164.74 (TFZ=11.3)
   Current Top (ML) Translation Function LLG = -175.92 (TFZ=2.8)

   Top Peaks Without Clustering
   Select peaks over 67.5% of top (i.e. 0.675*(top-mean)+mean)
   There were 2 sites over 67.5% of top
   2 peaks selected
   The sites over 67.5% are:
   #     Frac X Frac Y Frac Z    FSS   Z-score
   1      0.264  0.982  0.095     124.43  9.00
   2      0.265  0.479  0.095     117.44  8.77

   Top 2 translations before clustering will be rescored
   Spreading calculation onto 2 threads.
   Calculating Likelihood for TF SET #38 of 38 TRIAL #32 of 32 (TRIAL #24 of 24 deep)
   0% 100%
   |==| DONE

   Top Peaks With Clustering
   Select peaks over 75% of top (i.e. 0.75*(top-mean)+mean)
   There were 2 sites over 75% of top
   The sites over 75% are:
   #     Frac X Frac Y Frac Z    LLG   Z-score Split #Group  FSS-this-xyz/FSS-top
   1      0.264  0.982  0.095    -306.85  9.00   0.0      1     124.43/    124.43
   2      0.265  0.479  0.095    -314.35  8.77  29.1      1     117.44/    117.44


   Translation Function Table
   --------------------------
   SET ROT*deep   Top   (Z)     Second   (Z)      Third   (Z) Ensemble SpaceGroup 
     1   1*    -218.6  4.96          -     -          -     - ensemble P 32       
     1   2*         -     -          -     -          -     - ensemble P 32       
   --- ---
     2   1*    -203.1  4.19     -206.6  4.31     -207.7  4.57 ensemble P 32       
     2   2*    -207.4  4.49     -213.2  4.51     -216.6  4.23 ensemble P 32       
     2   3*    -204.7  4.17     -220.1  4.19          -     - ensemble P 32       
     2   4*    -199.5  4.66     -205.3  4.89     -213.9  4.48 ensemble P 32       
     2   5*    -198.1  4.86     -202.2  4.64     -208.8  4.31 ensemble P 32       
     2   6*    -205.0  4.48     -215.3  4.52          -     - ensemble P 32       
     2   7*         -     -          -     -          -     - ensemble P 32       
     2   8*    -223.1  4.73          -     -          -     - ensemble P 32       
     2   9*    -202.5  4.81     -205.8  4.52          -     - ensemble P 32       
     2  10*         -     -          -     -          -     - ensemble P 32       
   --- ---
     3   1*    -197.8  4.64     -201.7  4.27     -205.6  4.28 ensemble P 32       
     3   2*         -     -          -     -          -     - ensemble P 32       
   --- ---
     4   1*    -175.9  5.15     -188.9  4.31     -189.4  4.13 ensemble P 32       
     4   2*         -     -          -     -          -     - ensemble P 32       
     4   3*         -     -          -     -          -     - ensemble P 32       
   --- ---
     5   1     -187.2  3.96     -191.0  4.02     -192.2  3.72 ensemble P 32       
     5   2     -182.5  4.77     -190.4  4.06     -198.7  4.41 ensemble P 32       
     5   3     -191.4  4.49     -195.9  4.79     -200.7  4.18 ensemble P 32       
     5   4     -198.8  4.37     -199.9  3.98     -202.7  4.38 ensemble P 32       
     5   5     -197.6  4.52     -207.8  3.75     -212.8  4.17 ensemble P 32       
     5   6     -198.1  4.38     -198.3  4.25     -203.4  4.25 ensemble P 32       
     5   7     -204.3  3.85     -206.9  4.37     -209.4  3.53 ensemble P 32       
     5   8     -199.5  4.67     -209.5  3.92     -213.9  4.40 ensemble P 32       
     5   9     -200.8  4.86     -214.7  4.27     -223.0  4.07 ensemble P 32       
     5  10     -198.6  4.20     -202.3  4.44     -203.1  3.98 ensemble P 32       
     5  11     -211.1  4.00     -213.5  3.85     -216.6  4.05 ensemble P 32       
     5  12     -198.6  3.99     -202.8  4.47     -208.9  4.07 ensemble P 32       
     5  13     -203.1  3.72     -204.1  4.15     -217.4  3.68 ensemble P 32       
     5  14     -214.9  4.10     -216.6  3.81     -219.2  4.07 ensemble P 32       
     5  15     -212.1  3.95     -219.5  3.89     -221.0  3.83 ensemble P 32       
     5  16     -179.0  5.08     -182.4  4.81     -183.7  4.13 ensemble P 32       
     5  17*    -196.8  4.31     -204.6  4.40     -208.3  4.12 ensemble P 32       
     5  18*    -189.0  4.44     -201.9  4.51     -202.0  4.00 ensemble P 32       
     5  19*    -211.7  4.16     -215.0  4.29     -220.1  3.93 ensemble P 32       
     5  20*    -188.8  4.64     -207.2  4.28     -209.4  4.09 ensemble P 32       
     5  21*    -199.0  4.42     -201.4  4.97     -210.1  4.31 ensemble P 32       
     5  22*    -210.3  4.12     -216.5  3.91     -217.2  3.91 ensemble P 32       
     5  23*    -203.9  4.94     -214.2  4.18     -225.1  3.85 ensemble P 32       
     5  24*    -213.3  5.14     -215.8  4.27     -215.9  4.74 ensemble P 32       
     5  25*    -220.0  4.08     -220.0  4.00     -220.0  4.31 ensemble P 32       
     5  26*    -200.5  4.59     -205.7  4.36     -207.5  4.40 ensemble P 32       
     5  27*    -204.9  4.99     -211.4  4.91     -218.4  3.95 ensemble P 32       
     5  28*    -196.7  4.66     -203.5  4.30     -214.8  3.92 ensemble P 32       
     5  29*    -201.7  4.13     -207.2  4.56     -207.5  4.21 ensemble P 32       
     5  30*    -202.7  4.67     -205.5  4.81     -208.7  3.85 ensemble P 32       
     5  31*    -211.6  4.56     -212.5  4.74     -213.0  3.95 ensemble P 32       
     5  32*    -185.3  4.86     -189.6  4.77     -191.1  4.79 ensemble P 32       
     5  33*    -203.7  4.42     -211.5  4.41     -220.1  4.05 ensemble P 32       
     5  34*    -206.5  5.03     -219.6  4.34     -222.5  3.96 ensemble P 32       
     5  35*    -207.3  4.38     -209.3  4.63     -210.4  4.34 ensemble P 32       
     5  36*    -202.5  4.49     -204.6  4.73     -212.8  3.98 ensemble P 32       
     5  37*    -222.9  4.00     -223.6  4.18     -228.4  4.15 ensemble P 32       
     5  38*    -223.0  4.60     -234.5  4.23     -237.9  4.22 ensemble P 32       
     5  39*    -213.3  4.74     -216.5  4.34     -223.7  4.08 ensemble P 32       
     5  40*    -225.9  4.06     -226.9  4.02     -237.9  4.06 ensemble P 32       
     5  41*    -216.6  4.57     -218.5  4.15     -224.5  4.11 ensemble P 32       
     5  42*    -227.1  4.73     -230.2  4.19     -230.7  4.07 ensemble P 32       
     5  43*    -214.6  4.18     -217.7  4.21     -222.4  4.50 ensemble P 32       
     5  44*    -208.1  4.59     -212.8  4.89     -224.7  4.21 ensemble P 32       
     5  45*    -218.9  4.60     -222.4  4.56     -223.9  4.20 ensemble P 32       
     5  46*    -216.3  4.64     -219.5  4.12     -221.7  4.16 ensemble P 32       
     5  47*    -207.7  4.48     -207.9  4.84     -216.4  4.77 ensemble P 32       
     5  48*    -210.3  4.41     -212.3  4.14     -213.9  4.53 ensemble P 32       
     5  49*    -222.1  4.35     -224.0  4.11     -224.7  4.39 ensemble P 32       
     5  50*    -231.4  4.20     -232.7  3.97     -234.8  4.35 ensemble P 32       
     5  51*    -202.4  4.23     -220.7  4.14     -223.2  4.30 ensemble P 32       
     5  52*    -215.0  4.45     -215.1  3.97     -217.1  4.22 ensemble P 32       
     5  53*    -219.1  4.12     -224.2  3.89     -224.3  4.16 ensemble P 32       
     5  54*    -239.2  4.25     -240.7  4.19     -242.2  4.27 ensemble P 32       
     5  55*    -214.0  4.29     -222.1  4.12     -225.0  4.32 ensemble P 32       
     5  56*    -229.6  5.63          -     -          -     - ensemble P 32       
     5  57*    -253.8  4.65          -     -          -     - ensemble P 32       
   --- ---
     6   1*    -196.4  4.47          -     -          -     - ensemble P 31       
     6   2*         -     -          -     -          -     - ensemble P 31       
   --- ---
     7   1*         -     -          -     -          -     - ensemble P 31       
     7   2*         -     -          -     -          -     - ensemble P 31       
   --- ---
     8   1*    -203.4  4.34          -     -          -     - ensemble P 31       
     8   2*         -     -          -     -          -     - ensemble P 31       
   --- ---
     9   1*    -206.3  4.96     -206.4  4.64     -210.9  4.70 ensemble P 31       
     9   2*         -     -          -     -          -     - ensemble P 31       
   --- ---
    10   1*    -179.3  5.10     -192.9  4.43     -193.4  4.56 ensemble P 31       
    10   2*         -     -          -     -          -     - ensemble P 31       
   --- ---
    11   1*         -     -          -     -          -     - ensemble P 31       
    11   2*    -213.4  4.60          -     -          -     - ensemble P 31       
    11   3*    -195.3  5.25     -199.2  4.78     -204.2  4.72 ensemble P 31       
    11   4*    -197.5  5.26     -213.2  4.65          -     - ensemble P 31       
    11   5*    -263.9  5.75          -     -          -     - ensemble P 31       
    11   6*         -     -          -     -          -     - ensemble P 31       
   --- ---
    12   1*    -187.1  5.45     -195.3  4.36     -195.7  4.68 ensemble P 31       
    12   2*    -226.8  4.41          -     -          -     - ensemble P 31       
    12   3*    -203.6  4.75          -     -          -     - ensemble P 31       
    12   4*         -     -          -     -          -     - ensemble P 31       
    12   5*         -     -          -     -          -     - ensemble P 31       
    12   6*         -     -          -     -          -     - ensemble P 31       
   --- ---
    13   1     -198.1  5.20     -205.9  4.60     -211.0  4.97 ensemble P 32       
    13   2     -213.3  4.94     -213.4  4.96     -217.6  4.47 ensemble P 32       
    13   3     -255.3  4.42     -255.5  4.34          -     - ensemble P 32       
    13   4     -232.1  4.49     -232.2  4.41     -232.9  4.81 ensemble P 32       
    13   5     -246.1  4.63     -246.6  4.30     -247.8  4.61 ensemble P 32       
    13   6     -240.5  4.80     -250.0  4.48     -269.4  4.48 ensemble P 32       
    13   7     -244.0  4.76     -255.1  4.55     -259.4  4.56 ensemble P 32       
    13   8     -227.6  4.78     -239.6  4.60          -     - ensemble P 32       
    13   9*    -254.6  5.06     -260.0  4.91          -     - ensemble P 32       
    13  10*    -245.6  4.89     -254.8  4.37     -263.0  4.42 ensemble P 32       
    13  11*    -244.1  4.42     -253.0  4.40     -264.1  4.37 ensemble P 32       
    13  12*    -243.1  5.07          -     -          -     - ensemble P 32       
    13  13*    -254.9  4.62          -     -          -     - ensemble P 32       
    13  14*    -250.7  4.53          -     -          -     - ensemble P 32       
    13  15*    -217.4  5.65     -251.6  4.70          -     - ensemble P 32       
    13  16*    -254.0  4.46     -254.2  4.48          -     - ensemble P 32       
    13  17*         -     -          -     -          -     - ensemble P 32       
    13  18*         -     -          -     -          -     - ensemble P 32       
    13  19*    -249.1  4.72     -265.8  4.58     -271.6  4.65 ensemble P 32       
    13  20*    -258.1  4.54     -260.7  4.50     -263.4  4.69 ensemble P 32       
    13  21*    -239.1  4.78     -247.8  4.55          -     - ensemble P 32       
    13  22*    -240.1  5.35     -246.6  4.63     -254.5  4.68 ensemble P 32       
    13  23*    -222.7  5.34     -239.8  4.89     -242.6  5.04 ensemble P 32       
    13  24*    -235.2  4.94     -250.9  4.46     -262.3  4.54 ensemble P 32       
    13  25*    -253.7  4.96     -254.6  5.29     -265.5  5.18 ensemble P 32       
    13  26*    -244.1  4.89     -261.0  4.54     -267.2  4.99 ensemble P 32       
    13  27*    -260.2  4.95     -277.9  4.72          -     - ensemble P 32       
    13  28*         -     -          -     -          -     - ensemble P 32       
    13  29*    -284.3  4.94     -289.7  4.63          -     - ensemble P 32       
    13  30*    -271.2  4.61     -288.4  4.57          -     - ensemble P 32       
    13  31*    -282.3  4.61          -     -          -     - ensemble P 32       
    13  32*    -239.8  4.96     -242.2  4.74     -253.2  4.55 ensemble P 32       
    13  33*    -251.9  4.71     -273.5  4.73          -     - ensemble P 32       
    13  34*    -240.4  4.73          -     -          -     - ensemble P 32       
    13  35*    -248.4  5.21          -     -          -     - ensemble P 32       
    13  36*    -248.3  4.75          -     -          -     - ensemble P 32       
    13  37*    -241.2  4.94     -251.1  4.78     -252.4  4.75 ensemble P 32       
    13  38*    -233.9  4.67          -     -          -     - ensemble P 32       
    13  39*    -234.9  5.21     -235.1  5.20          -     - ensemble P 32       
    13  40*    -234.9  5.01     -237.8  4.73     -254.4  4.49 ensemble P 32       
    13  41*         -     -          -     -          -     - ensemble P 32       
    13  42*    -235.8  4.65          -     -          -     - ensemble P 32       
    13  43*    -269.3  4.74          -     -          -     - ensemble P 32       
    13  44*    -245.3  4.88     -249.5  5.14          -     - ensemble P 32       
    13  45*    -252.7  4.71          -     -          -     - ensemble P 32       
    13  46*    -242.2  5.30     -245.5  4.98     -247.6  5.21 ensemble P 32       
    13  47*    -243.3  5.03          -     -          -     - ensemble P 32       
    13  48*    -251.7  4.86     -256.3  4.65     -257.5  4.82 ensemble P 32       
    13  49*         -     -          -     -          -     - ensemble P 32       
    13  50*    -390.0 10.64     -401.8 10.32          -     - ensemble P 32       
    13  51*    -343.2  9.65     -358.6  9.63          -     - ensemble P 32       
   --- ---
    14   1*         -     -          -     -          -     - ensemble P 31       
    14   2*         -     -          -     -          -     - ensemble P 31       
    14   3*         -     -          -     -          -     - ensemble P 31       
    14   4*         -     -          -     -          -     - ensemble P 31       
    14   5*         -     -          -     -          -     - ensemble P 31       
    14   6*         -     -          -     -          -     - ensemble P 31       
    14   7*         -     -          -     -          -     - ensemble P 31       
    14   8*         -     -          -     -          -     - ensemble P 31       
    14   9*         -     -          -     -          -     - ensemble P 31       
    14  10*         -     -          -     -          -     - ensemble P 31       
    14  11*         -     -          -     -          -     - ensemble P 31       
    14  12*         -     -          -     -          -     - ensemble P 31       
    14  13*         -     -          -     -          -     - ensemble P 31       
    14  14*    -395.8 10.74     -426.7 10.03          -     - ensemble P 31       
    14  15*    -359.0  8.14     -365.5  8.51          -     - ensemble P 31       
   --- ---
    15   1*         -     -          -     -          -     - ensemble P 31       
    15   2*         -     -          -     -          -     - ensemble P 31       
    15   3*         -     -          -     -          -     - ensemble P 31       
    15   4*         -     -          -     -          -     - ensemble P 31       
    15   5*         -     -          -     -          -     - ensemble P 31       
    15   6*    -418.1 10.25     -426.2 10.25          -     - ensemble P 31       
    15   7*    -357.0  9.52     -358.2  9.21          -     - ensemble P 31       
   --- ---
    16   1*         -     -          -     -          -     - ensemble P 31       
    16   2*         -     -          -     -          -     - ensemble P 31       
    16   3*         -     -          -     -          -     - ensemble P 31       
    16   4*         -     -          -     -          -     - ensemble P 31       
    16   5*         -     -          -     -          -     - ensemble P 31       
    16   6*         -     -          -     -          -     - ensemble P 31       
    16   7*         -     -          -     -          -     - ensemble P 31       
    16   8*         -     -          -     -          -     - ensemble P 31       
    16   9*         -     -          -     -          -     - ensemble P 31       
    16  10*         -     -          -     -          -     - ensemble P 31       
    16  11*         -     -          -     -          -     - ensemble P 31       
    16  12*         -     -          -     -          -     - ensemble P 31       
    16  13*         -     -          -     -          -     - ensemble P 31       
    16  14*         -     -          -     -          -     - ensemble P 31       
    16  15*         -     -          -     -          -     - ensemble P 31       
    16  16*         -     -          -     -          -     - ensemble P 31       
    16  17*         -     -          -     -          -     - ensemble P 31       
    16  18*    -422.2 10.27     -425.8 10.40          -     - ensemble P 31       
    16  19*    -378.0  8.40     -402.6  8.23          -     - ensemble P 31       
   --- ---
    17   1*         -     -          -     -          -     - ensemble P 31       
    17   2*         -     -          -     -          -     - ensemble P 31       
    17   3*         -     -          -     -          -     - ensemble P 31       
    17   4*         -     -          -     -          -     - ensemble P 31       
    17   5*         -     -          -     -          -     - ensemble P 31       
    17   6*         -     -          -     -          -     - ensemble P 31       
    17   7*         -     -          -     -          -     - ensemble P 31       
    17   8*         -     -          -     -          -     - ensemble P 31       
    17   9*         -     -          -     -          -     - ensemble P 31       
    17  10*    -394.5  9.86     -401.0 10.36          -     - ensemble P 31       
    17  11*    -363.7  8.90     -371.3  8.85          -     - ensemble P 31       
   --- ---
    18   1*         -     -          -     -          -     - ensemble P 31       
    18   2*         -     -          -     -          -     - ensemble P 31       
    18   3*         -     -          -     -          -     - ensemble P 31       
    18   4*         -     -          -     -          -     - ensemble P 31       
    18   5*         -     -          -     -          -     - ensemble P 31       
    18   6*         -     -          -     -          -     - ensemble P 31       
    18   7*         -     -          -     -          -     - ensemble P 31       
    18   8*         -     -          -     -          -     - ensemble P 31       
    18   9*         -     -          -     -          -     - ensemble P 31       
    18  10*         -     -          -     -          -     - ensemble P 31       
    18  11*         -     -          -     -          -     - ensemble P 31       
    18  12*         -     -          -     -          -     - ensemble P 31       
    18  13*         -     -          -     -          -     - ensemble P 31       
    18  14*         -     -          -     -          -     - ensemble P 31       
    18  15*         -     -          -     -          -     - ensemble P 31       
    18  16*         -     -          -     -          -     - ensemble P 31       
    18  17*         -     -          -     -          -     - ensemble P 31       
    18  18*         -     -          -     -          -     - ensemble P 31       
    18  19*         -     -          -     -          -     - ensemble P 31       
    18  20*         -     -          -     -          -     - ensemble P 31       
    18  21*         -     -          -     -          -     - ensemble P 31       
    18  22*         -     -          -     -          -     - ensemble P 31       
    18  23*         -     -          -     -          -     - ensemble P 31       
    18  24*         -     -          -     -          -     - ensemble P 31       
    18  25*         -     -          -     -          -     - ensemble P 31       
    18  26*         -     -          -     -          -     - ensemble P 31       
    18  27*         -     -          -     -          -     - ensemble P 31       
    18  28*         -     -          -     -          -     - ensemble P 31       
    18  29*    -381.9 11.17     -398.5 11.07          -     - ensemble P 31       
    18  30*    -353.5  8.16     -357.2  7.75          -     - ensemble P 31       
   --- ---
    19   1     -244.4  4.48     -251.8  4.38     -258.7  4.35 ensemble P 32       
    19   2     -233.7  4.62     -237.3  4.33     -245.8  4.30 ensemble P 32       
    19   3*         -     -          -     -          -     - ensemble P 32       
    19   4*         -     -          -     -          -     - ensemble P 32       
    19   5*         -     -          -     -          -     - ensemble P 32       
    19   6*         -     -          -     -          -     - ensemble P 32       
    19   7*         -     -          -     -          -     - ensemble P 32       
    19   8*         -     -          -     -          -     - ensemble P 32       
    19   9*         -     -          -     -          -     - ensemble P 32       
    19  10*         -     -          -     -          -     - ensemble P 32       
    19  11*         -     -          -     -          -     - ensemble P 32       
    19  12*         -     -          -     -          -     - ensemble P 32       
    19  13*         -     -          -     -          -     - ensemble P 32       
    19  14*         -     -          -     -          -     - ensemble P 32       
    19  15*         -     -          -     -          -     - ensemble P 32       
    19  16*         -     -          -     -          -     - ensemble P 32       
    19  17*         -     -          -     -          -     - ensemble P 32       
    19  18*         -     -          -     -          -     - ensemble P 32       
    19  19*         -     -          -     -          -     - ensemble P 32       
    19  20*         -     -          -     -          -     - ensemble P 32       
    19  21*         -     -          -     -          -     - ensemble P 32       
    19  22*         -     -          -     -          -     - ensemble P 32       
    19  23*         -     -          -     -          -     - ensemble P 32       
    19  24*         -     -          -     -          -     - ensemble P 32       
    19  25*         -     -          -     -          -     - ensemble P 32       
    19  26*         -     -          -     -          -     - ensemble P 32       
    19  27*         -     -          -     -          -     - ensemble P 32       
    19  28*         -     -          -     -          -     - ensemble P 32       
    19  29*         -     -          -     -          -     - ensemble P 32       
    19  30*         -     -          -     -          -     - ensemble P 32       
    19  31*         -     -          -     -          -     - ensemble P 32       
    19  32*         -     -          -     -          -     - ensemble P 32       
    19  33*         -     -          -     -          -     - ensemble P 32       
    19  34*         -     -          -     -          -     - ensemble P 32       
    19  35*         -     -          -     -          -     - ensemble P 32       
    19  36*         -     -          -     -          -     - ensemble P 32       
    19  37*         -     -          -     -          -     - ensemble P 32       
    19  38*         -     -          -     -          -     - ensemble P 32       
    19  39*         -     -          -     -          -     - ensemble P 32       
    19  40*         -     -          -     -          -     - ensemble P 32       
    19  41*         -     -          -     -          -     - ensemble P 32       
    19  42*         -     -          -     -          -     - ensemble P 32       
    19  43*         -     -          -     -          -     - ensemble P 32       
    19  44*         -     -          -     -          -     - ensemble P 32       
    19  45*         -     -          -     -          -     - ensemble P 32       
    19  46*         -     -          -     -          -     - ensemble P 32       
    19  47*         -     -          -     -          -     - ensemble P 32       
    19  48*         -     -          -     -          -     - ensemble P 32       
    19  49*         -     -          -     -          -     - ensemble P 32       
    19  50*         -     -          -     -          -     - ensemble P 32       
    19  51*         -     -          -     -          -     - ensemble P 32       
    19  52*         -     -          -     -          -     - ensemble P 32       
    19  53*    -389.4 10.34     -391.9 10.41          -     - ensemble P 32       
    19  54*    -328.0  7.86          -     -          -     - ensemble P 32       
   --- ---
    20   1     -248.5  4.47          -     -          -     - ensemble P 32       
    20   2*         -     -          -     -          -     - ensemble P 32       
    20   3*         -     -          -     -          -     - ensemble P 32       
    20   4*         -     -          -     -          -     - ensemble P 32       
    20   5*         -     -          -     -          -     - ensemble P 32       
    20   6*         -     -          -     -          -     - ensemble P 32       
    20   7*         -     -          -     -          -     - ensemble P 32       
    20   8*         -     -          -     -          -     - ensemble P 32       
    20   9*         -     -          -     -          -     - ensemble P 32       
    20  10*         -     -          -     -          -     - ensemble P 32       
    20  11*         -     -          -     -          -     - ensemble P 32       
    20  12*         -     -          -     -          -     - ensemble P 32       
    20  13*         -     -          -     -          -     - ensemble P 32       
    20  14*         -     -          -     -          -     - ensemble P 32       
    20  15*         -     -          -     -          -     - ensemble P 32       
    20  16*         -     -          -     -          -     - ensemble P 32       
    20  17*         -     -          -     -          -     - ensemble P 32       
    20  18*         -     -          -     -          -     - ensemble P 32       
    20  19*         -     -          -     -          -     - ensemble P 32       
    20  20*         -     -          -     -          -     - ensemble P 32       
    20  21*         -     -          -     -          -     - ensemble P 32       
    20  22*         -     -          -     -          -     - ensemble P 32       
    20  23*         -     -          -     -          -     - ensemble P 32       
    20  24*    -415.8 10.68     -416.6 10.54          -     - ensemble P 32       
    20  25*    -308.4 10.65     -344.5  9.73          -     - ensemble P 32       
   --- ---
    21   1*         -     -          -     -          -     - ensemble P 32       
    21   2*         -     -          -     -          -     - ensemble P 32       
    21   3*         -     -          -     -          -     - ensemble P 32       
    21   4*         -     -          -     -          -     - ensemble P 32       
    21   5*         -     -          -     -          -     - ensemble P 32       
    21   6*         -     -          -     -          -     - ensemble P 32       
    21   7*         -     -          -     -          -     - ensemble P 32       
    21   8*         -     -          -     -          -     - ensemble P 32       
    21   9*         -     -          -     -          -     - ensemble P 32       
    21  10*         -     -          -     -          -     - ensemble P 32       
    21  11*         -     -          -     -          -     - ensemble P 32       
    21  12*         -     -          -     -          -     - ensemble P 32       
    21  13*         -     -          -     -          -     - ensemble P 32       
    21  14*         -     -          -     -          -     - ensemble P 32       
    21  15*         -     -          -     -          -     - ensemble P 32       
    21  16*         -     -          -     -          -     - ensemble P 32       
    21  17*         -     -          -     -          -     - ensemble P 32       
    21  18*         -     -          -     -          -     - ensemble P 32       
    21  19*         -     -          -     -          -     - ensemble P 32       
    21  20*         -     -          -     -          -     - ensemble P 32       
    21  21*         -     -          -     -          -     - ensemble P 32       
    21  22*         -     -          -     -          -     - ensemble P 32       
    21  23*         -     -          -     -          -     - ensemble P 32       
    21  24*         -     -          -     -          -     - ensemble P 32       
    21  25*         -     -          -     -          -     - ensemble P 32       
    21  26*         -     -          -     -          -     - ensemble P 32       
    21  27*         -     -          -     -          -     - ensemble P 32       
    21  28*         -     -          -     -          -     - ensemble P 32       
    21  29*    -352.3  9.91     -374.7  9.77          -     - ensemble P 32       
    21  30*    -343.6  7.47          -     -          -     - ensemble P 32       
   --- ---
    22   1*         -     -          -     -          -     - ensemble P 32       
    22   2*         -     -          -     -          -     - ensemble P 32       
    22   3*         -     -          -     -          -     - ensemble P 32       
    22   4*         -     -          -     -          -     - ensemble P 32       
    22   5*         -     -          -     -          -     - ensemble P 32       
    22   6*         -     -          -     -          -     - ensemble P 32       
    22   7*         -     -          -     -          -     - ensemble P 32       
    22   8*    -397.9 10.51     -403.2 10.44          -     - ensemble P 32       
    22   9*    -337.2  8.50          -     -          -     - ensemble P 32       
   --- ---
    23   1*         -     -          -     -          -     - ensemble P 31       
    23   2*    -386.6 10.25     -407.7  9.90          -     - ensemble P 31       
    23   3*    -373.8  8.28          -     -          -     - ensemble P 31       
   --- ---
    24   1*         -     -          -     -          -     - ensemble P 32       
    24   2*         -     -          -     -          -     - ensemble P 32       
    24   3*         -     -          -     -          -     - ensemble P 32       
    24   4*         -     -          -     -          -     - ensemble P 32       
    24   5*         -     -          -     -          -     - ensemble P 32       
    24   6*         -     -          -     -          -     - ensemble P 32       
    24   7*         -     -          -     -          -     - ensemble P 32       
    24   8*         -     -          -     -          -     - ensemble P 32       
    24   9*         -     -          -     -          -     - ensemble P 32       
    24  10*         -     -          -     -          -     - ensemble P 32       
    24  11*         -     -          -     -          -     - ensemble P 32       
    24  12*         -     -          -     -          -     - ensemble P 32       
    24  13*         -     -          -     -          -     - ensemble P 32       
    24  14*         -     -          -     -          -     - ensemble P 32       
    24  15*         -     -          -     -          -     - ensemble P 32       
    24  16*         -     -          -     -          -     - ensemble P 32       
    24  17*    -391.1  9.63     -396.7  9.28          -     - ensemble P 32       
    24  18*    -365.1  9.15     -378.6  8.96          -     - ensemble P 32       
   --- ---
    25   1*         -     -          -     -          -     - ensemble P 32       
    25   2*         -     -          -     -          -     - ensemble P 32       
    25   3*         -     -          -     -          -     - ensemble P 32       
    25   4*         -     -          -     -          -     - ensemble P 32       
    25   5*         -     -          -     -          -     - ensemble P 32       
    25   6*         -     -          -     -          -     - ensemble P 32       
    25   7*         -     -          -     -          -     - ensemble P 32       
    25   8*         -     -          -     -          -     - ensemble P 32       
    25   9*         -     -          -     -          -     - ensemble P 32       
    25  10*         -     -          -     -          -     - ensemble P 32       
    25  11*         -     -          -     -          -     - ensemble P 32       
    25  12*         -     -          -     -          -     - ensemble P 32       
    25  13*         -     -          -     -          -     - ensemble P 32       
    25  14*         -     -          -     -          -     - ensemble P 32       
    25  15*         -     -          -     -          -     - ensemble P 32       
    25  16*         -     -          -     -          -     - ensemble P 32       
    25  17*         -     -          -     -          -     - ensemble P 32       
    25  18*    -384.2 10.39     -393.3  9.64          -     - ensemble P 32       
    25  19*    -320.5  9.50     -328.6  9.13          -     - ensemble P 32       
   --- ---
    26   1*         -     -          -     -          -     - ensemble P 32       
    26   2*         -     -          -     -          -     - ensemble P 32       
    26   3*         -     -          -     -          -     - ensemble P 32       
    26   4*         -     -          -     -          -     - ensemble P 32       
    26   5*         -     -          -     -          -     - ensemble P 32       
    26   6*         -     -          -     -          -     - ensemble P 32       
    26   7*         -     -          -     -          -     - ensemble P 32       
    26   8*         -     -          -     -          -     - ensemble P 32       
    26   9*         -     -          -     -          -     - ensemble P 32       
    26  10*         -     -          -     -          -     - ensemble P 32       
    26  11*         -     -          -     -          -     - ensemble P 32       
    26  12*         -     -          -     -          -     - ensemble P 32       
    26  13*         -     -          -     -          -     - ensemble P 32       
    26  14*    -401.7 10.97     -410.5 10.61          -     - ensemble P 32       
    26  15*         -     -          -     -          -     - ensemble P 32       
   --- ---
    27   1*         -     -          -     -          -     - ensemble P 32       
    27   2*         -     -          -     -          -     - ensemble P 32       
    27   3*         -     -          -     -          -     - ensemble P 32       
    27   4*         -     -          -     -          -     - ensemble P 32       
    27   5*         -     -          -     -          -     - ensemble P 32       
    27   6*         -     -          -     -          -     - ensemble P 32       
    27   7*         -     -          -     -          -     - ensemble P 32       
    27   8*    -377.4 10.28     -387.2 10.09          -     - ensemble P 32       
    27   9*    -318.0  9.29     -326.3  9.44          -     - ensemble P 32       
   --- ---
    28   1     -245.2  4.57     -254.1  4.94     -262.2  4.42 ensemble P 31       
    28   2*         -     -          -     -          -     - ensemble P 31       
    28   3*         -     -          -     -          -     - ensemble P 31       
    28   4*         -     -          -     -          -     - ensemble P 31       
    28   5*         -     -          -     -          -     - ensemble P 31       
    28   6*         -     -          -     -          -     - ensemble P 31       
    28   7*         -     -          -     -          -     - ensemble P 31       
    28   8*         -     -          -     -          -     - ensemble P 31       
    28   9*         -     -          -     -          -     - ensemble P 31       
    28  10*         -     -          -     -          -     - ensemble P 31       
    28  11*         -     -          -     -          -     - ensemble P 31       
    28  12*         -     -          -     -          -     - ensemble P 31       
    28  13*         -     -          -     -          -     - ensemble P 31       
    28  14*         -     -          -     -          -     - ensemble P 31       
    28  15*         -     -          -     -          -     - ensemble P 31       
    28  16*         -     -          -     -          -     - ensemble P 31       
    28  17*         -     -          -     -          -     - ensemble P 31       
    28  18*         -     -          -     -          -     - ensemble P 31       
    28  19*         -     -          -     -          -     - ensemble P 31       
    28  20*         -     -          -     -          -     - ensemble P 31       
    28  21*         -     -          -     -          -     - ensemble P 31       
    28  22*         -     -          -     -          -     - ensemble P 31       
    28  23*         -     -          -     -          -     - ensemble P 31       
    28  24*         -     -          -     -          -     - ensemble P 31       
    28  25*    -371.9 10.84     -383.4 10.68          -     - ensemble P 31       
    28  26*    -352.6  9.02     -360.2  8.92          -     - ensemble P 31       
   --- ---
    29   1*         -     -          -     -          -     - ensemble P 31       
    29   2*    -378.5 11.49     -398.9 10.72          -     - ensemble P 31       
    29   3*    -376.2  9.71     -380.7  9.55          -     - ensemble P 31       
   --- ---
    30   1*         -     -          -     -          -     - ensemble P 32       
    30   2*         -     -          -     -          -     - ensemble P 32       
    30   3*         -     -          -     -          -     - ensemble P 32       
    30   4*         -     -          -     -          -     - ensemble P 32       
    30   5*         -     -          -     -          -     - ensemble P 32       
    30   6*         -     -          -     -          -     - ensemble P 32       
    30   7*    -394.8 10.86     -403.7 10.79          -     - ensemble P 32       
    30   8*         -     -          -     -          -     - ensemble P 32       
   --- ---
    31   1*         -     -          -     -          -     - ensemble P 32       
    31   2*         -     -          -     -          -     - ensemble P 32       
    31   3*         -     -          -     -          -     - ensemble P 32       
    31   4*         -     -          -     -          -     - ensemble P 32       
    31   5*         -     -          -     -          -     - ensemble P 32       
    31   6*         -     -          -     -          -     - ensemble P 32       
    31   7*         -     -          -     -          -     - ensemble P 32       
    31   8*         -     -          -     -          -     - ensemble P 32       
    31   9*         -     -          -     -          -     - ensemble P 32       
    31  10*         -     -          -     -          -     - ensemble P 32       
    31  11*         -     -          -     -          -     - ensemble P 32       
    31  12*         -     -          -     -          -     - ensemble P 32       
    31  13*         -     -          -     -          -     - ensemble P 32       
    31  14*    -408.9 10.55     -417.1 10.31          -     - ensemble P 32       
    31  15*    -333.6  9.19     -345.3  8.54          -     - ensemble P 32       
   --- ---
    32   1*         -     -          -     -          -     - ensemble P 32       
    32   2*         -     -          -     -          -     - ensemble P 32       
    32   3*         -     -          -     -          -     - ensemble P 32       
    32   4*         -     -          -     -          -     - ensemble P 32       
    32   5*         -     -          -     -          -     - ensemble P 32       
    32   6*         -     -          -     -          -     - ensemble P 32       
    32   7*         -     -          -     -          -     - ensemble P 32       
    32   8*         -     -          -     -          -     - ensemble P 32       
    32   9*         -     -          -     -          -     - ensemble P 32       
    32  10*         -     -          -     -          -     - ensemble P 32       
    32  11*         -     -          -     -          -     - ensemble P 32       
    32  12*         -     -          -     -          -     - ensemble P 32       
    32  13*         -     -          -     -          -     - ensemble P 32       
    32  14*         -     -          -     -          -     - ensemble P 32       
    32  15*         -     -          -     -          -     - ensemble P 32       
    32  16*         -     -          -     -          -     - ensemble P 32       
    32  17*         -     -          -     -          -     - ensemble P 32       
    32  18*         -     -          -     -          -     - ensemble P 32       
    32  19*         -     -          -     -          -     - ensemble P 32       
    32  20*         -     -          -     -          -     - ensemble P 32       
    32  21*         -     -          -     -          -     - ensemble P 32       
    32  22*         -     -          -     -          -     - ensemble P 32       
    32  23*         -     -          -     -          -     - ensemble P 32       
    32  24*         -     -          -     -          -     - ensemble P 32       
    32  25*         -     -          -     -          -     - ensemble P 32       
    32  26*         -     -          -     -          -     - ensemble P 32       
    32  27*    -390.8 11.32     -397.7 11.15          -     - ensemble P 32       
    32  28*    -314.3 10.71     -346.5  9.93          -     - ensemble P 32       
   --- ---
    33   1     -235.1  4.39     -237.3  4.88     -239.7  4.35 ensemble P 31       
    33   2     -239.5  5.20     -249.8  4.36     -254.6  4.43 ensemble P 31       
    33   3     -219.4  4.76     -223.2  4.55     -230.3  5.05 ensemble P 31       
    33   4     -213.4  4.81     -229.1  4.70     -240.5  4.42 ensemble P 31       
    33   5     -223.3  5.10     -233.4  4.64     -240.6  4.48 ensemble P 31       
    33   6     -233.5  4.77     -247.3  4.60     -248.3  4.27 ensemble P 31       
    33   7*         -     -          -     -          -     - ensemble P 31       
    33   8*         -     -          -     -          -     - ensemble P 31       
    33   9*         -     -          -     -          -     - ensemble P 31       
    33  10*         -     -          -     -          -     - ensemble P 31       
    33  11*         -     -          -     -          -     - ensemble P 31       
    33  12*         -     -          -     -          -     - ensemble P 31       
    33  13*         -     -          -     -          -     - ensemble P 31       
    33  14*         -     -          -     -          -     - ensemble P 31       
    33  15*         -     -          -     -          -     - ensemble P 31       
    33  16*         -     -          -     -          -     - ensemble P 31       
    33  17*         -     -          -     -          -     - ensemble P 31       
    33  18*         -     -          -     -          -     - ensemble P 31       
    33  19*         -     -          -     -          -     - ensemble P 31       
    33  20*         -     -          -     -          -     - ensemble P 31       
    33  21*         -     -          -     -          -     - ensemble P 31       
    33  22*         -     -          -     -          -     - ensemble P 31       
    33  23*         -     -          -     -          -     - ensemble P 31       
    33  24*         -     -          -     -          -     - ensemble P 31       
    33  25*         -     -          -     -          -     - ensemble P 31       
    33  26*         -     -          -     -          -     - ensemble P 31       
    33  27*         -     -          -     -          -     - ensemble P 31       
    33  28*         -     -          -     -          -     - ensemble P 31       
    33  29*         -     -          -     -          -     - ensemble P 31       
    33  30*         -     -          -     -          -     - ensemble P 31       
    33  31*         -     -          -     -          -     - ensemble P 31       
    33  32*         -     -          -     -          -     - ensemble P 31       
    33  33*         -     -          -     -          -     - ensemble P 31       
    33  34*         -     -          -     -          -     - ensemble P 31       
    33  35*         -     -          -     -          -     - ensemble P 31       
    33  36*         -     -          -     -          -     - ensemble P 31       
    33  37*         -     -          -     -          -     - ensemble P 31       
    33  38*         -     -          -     -          -     - ensemble P 31       
    33  39*         -     -          -     -          -     - ensemble P 31       
    33  40*         -     -          -     -          -     - ensemble P 31       
    33  41*         -     -          -     -          -     - ensemble P 31       
    33  42*         -     -          -     -          -     - ensemble P 31       
    33  43*         -     -          -     -          -     - ensemble P 31       
    33  44*         -     -          -     -          -     - ensemble P 31       
    33  45*         -     -          -     -          -     - ensemble P 31       
    33  46*         -     -          -     -          -     - ensemble P 31       
    33  47*         -     -          -     -          -     - ensemble P 31       
    33  48*         -     -          -     -          -     - ensemble P 31       
    33  49*         -     -          -     -          -     - ensemble P 31       
    33  50*         -     -          -     -          -     - ensemble P 31       
    33  51*         -     -          -     -          -     - ensemble P 31       
    33  52*         -     -          -     -          -     - ensemble P 31       
    33  53*         -     -          -     -          -     - ensemble P 31       
    33  54*         -     -          -     -          -     - ensemble P 31       
    33  55*         -     -          -     -          -     - ensemble P 31       
    33  56*         -     -          -     -          -     - ensemble P 31       
    33  57*         -     -          -     -          -     - ensemble P 31       
    33  58*         -     -          -     -          -     - ensemble P 31       
    33  59*         -     -          -     -          -     - ensemble P 31       
    33  60*         -     -          -     -          -     - ensemble P 31       
    33  61*         -     -          -     -          -     - ensemble P 31       
    33  62*         -     -          -     -          -     - ensemble P 31       
    33  63*         -     -          -     -          -     - ensemble P 31       
    33  64*         -     -          -     -          -     - ensemble P 31       
    33  65*         -     -          -     -          -     - ensemble P 31       
    33  66*         -     -          -     -          -     - ensemble P 31       
    33  67*         -     -          -     -          -     - ensemble P 31       
    33  68*         -     -          -     -          -     - ensemble P 31       
    33  69*         -     -          -     -          -     - ensemble P 31       
    33  70*         -     -          -     -          -     - ensemble P 31       
    33  71*    -370.0 10.40     -378.5 10.27          -     - ensemble P 31       
    33  72*    -326.2  9.00     -338.6  8.91          -     - ensemble P 31       
   --- ---
    34   1*         -     -          -     -          -     - ensemble P 32       
    34   2*         -     -          -     -          -     - ensemble P 32       
    34   3*         -     -          -     -          -     - ensemble P 32       
    34   4*         -     -          -     -          -     - ensemble P 32       
    34   5*         -     -          -     -          -     - ensemble P 32       
    34   6*    -396.9  9.93     -401.0  9.71          -     - ensemble P 32       
    34   7*    -338.9  9.01     -348.3  9.14          -     - ensemble P 32       
   --- ---
    35   1*         -     -          -     -          -     - ensemble P 31       
    35   2*    -406.7 10.37     -408.0 10.47          -     - ensemble P 31       
    35   3*    -338.9  9.63     -347.0  9.57          -     - ensemble P 31       
   --- ---
    36   1*         -     -          -     -          -     - ensemble P 31       
    36   2*         -     -          -     -          -     - ensemble P 31       
    36   3*         -     -          -     -          -     - ensemble P 31       
    36   4*         -     -          -     -          -     - ensemble P 31       
    36   5*         -     -          -     -          -     - ensemble P 31       
    36   6*         -     -          -     -          -     - ensemble P 31       
    36   7*         -     -          -     -          -     - ensemble P 31       
    36   8*         -     -          -     -          -     - ensemble P 31       
    36   9*         -     -          -     -          -     - ensemble P 31       
    36  10*         -     -          -     -          -     - ensemble P 31       
    36  11*         -     -          -     -          -     - ensemble P 31       
    36  12*         -     -          -     -          -     - ensemble P 31       
    36  13*    -409.1 10.05     -420.8  9.72          -     - ensemble P 31       
    36  14*    -342.8  8.37     -353.1  8.21          -     - ensemble P 31       
   --- ---
    37   1*         -     -          -     -          -     - ensemble P 31       
    37   2*         -     -          -     -          -     - ensemble P 31       
    37   3*         -     -          -     -          -     - ensemble P 31       
    37   4*         -     -          -     -          -     - ensemble P 31       
    37   5*         -     -          -     -          -     - ensemble P 31       
    37   6*         -     -          -     -          -     - ensemble P 31       
    37   7*         -     -          -     -          -     - ensemble P 31       
    37   8*         -     -          -     -          -     - ensemble P 31       
    37   9*         -     -          -     -          -     - ensemble P 31       
    37  10*         -     -          -     -          -     - ensemble P 31       
    37  11*         -     -          -     -          -     - ensemble P 31       
    37  12*         -     -          -     -          -     - ensemble P 31       
    37  13*         -     -          -     -          -     - ensemble P 31       
    37  14*         -     -          -     -          -     - ensemble P 31       
    37  15*         -     -          -     -          -     - ensemble P 31       
    37  16*         -     -          -     -          -     - ensemble P 31       
    37  17*         -     -          -     -          -     - ensemble P 31       
    37  18*         -     -          -     -          -     - ensemble P 31       
    37  19*         -     -          -     -          -     - ensemble P 31       
    37  20*         -     -          -     -          -     - ensemble P 31       
    37  21*         -     -          -     -          -     - ensemble P 31       
    37  22*         -     -          -     -          -     - ensemble P 31       
    37  23*         -     -          -     -          -     - ensemble P 31       
    37  24*         -     -          -     -          -     - ensemble P 31       
    37  25*         -     -          -     -          -     - ensemble P 31       
    37  26*         -     -          -     -          -     - ensemble P 31       
    37  27*    -358.5 11.32     -369.2 10.88          -     - ensemble P 31       
    37  28*    -365.5  8.78     -374.0  8.66          -     - ensemble P 31       
   --- ---
    38   1     -212.0  4.86     -213.7  4.43     -221.5  4.11 ensemble P 31       
    38   2     -217.9  4.77     -223.8  4.24     -223.8  4.32 ensemble P 31       
    38   3     -232.2  4.36     -233.9  4.51     -235.9  4.16 ensemble P 31       
    38   4     -232.0  4.18     -236.2  4.72     -236.3  5.05 ensemble P 31       
    38   5     -226.9  4.14     -230.5  4.12     -237.5  4.09 ensemble P 31       
    38   6     -202.1  5.43     -219.9  4.96     -220.3  4.76 ensemble P 31       
    38   7     -213.5  5.10     -221.3  4.30     -227.2  4.51 ensemble P 31       
    38   8     -230.2  4.17     -234.7  4.48     -260.6  4.20 ensemble P 31       
    38   9*         -     -          -     -          -     - ensemble P 31       
    38  10*         -     -          -     -          -     - ensemble P 31       
    38  11*         -     -          -     -          -     - ensemble P 31       
    38  12*         -     -          -     -          -     - ensemble P 31       
    38  13*         -     -          -     -          -     - ensemble P 31       
    38  14*         -     -          -     -          -     - ensemble P 31       
    38  15*         -     -          -     -          -     - ensemble P 31       
    38  16*         -     -          -     -          -     - ensemble P 31       
    38  17*         -     -          -     -          -     - ensemble P 31       
    38  18*         -     -          -     -          -     - ensemble P 31       
    38  19*         -     -          -     -          -     - ensemble P 31       
    38  20*         -     -          -     -          -     - ensemble P 31       
    38  21*         -     -          -     -          -     - ensemble P 31       
    38  22*         -     -          -     -          -     - ensemble P 31       
    38  23*         -     -          -     -          -     - ensemble P 31       
    38  24*         -     -          -     -          -     - ensemble P 31       
    38  25*         -     -          -     -          -     - ensemble P 31       
    38  26*         -     -          -     -          -     - ensemble P 31       
    38  27*         -     -          -     -          -     - ensemble P 31       
    38  28*         -     -          -     -          -     - ensemble P 31       
    38  29*         -     -          -     -          -     - ensemble P 31       
    38  30*         -     -          -     -          -     - ensemble P 31       
    38  31*    -373.2 10.30     -395.6 10.11          -     - ensemble P 31       
    38  32*    -306.8  9.00     -314.4  8.77          -     - ensemble P 31       
   --- ---

---------------
FINAL SELECTION
---------------

   LLG will be used for purge, not FSS
   Top TF  = -175.92
   Top TFZ = 11.49
   Mean TF = -371.93
   Percent used for purge = 75%
   Cutoff for acceptance = -224.9
      TFZ used for final selection = 8
         Number of solutions over TF final cutoff  = 540
         Number of solutions over TFZ final cutoff = 93
         Number of solutions over TF & TFZ cutoff  = 0
   Number of solutions stored before final selection = 1188
   Number of solutions stored (deleted) after final selection = 633 (555)


$TABLE : Translation Function Component #5 (ensemble1):
$GRAPHS 
:TF Number vs LL-gain:AUTO:1,2: :TF Number vs Z-Score:AUTO:1,3: 
$$
Number LLG Z-Score
$$ loggraph $$
1    -175.92  5.15
2    -179.03  5.08
3    -179.33  5.10
4    -182.43  4.81
5    -182.55  4.77
6    -183.67  4.13
7    -184.62  4.47
8    -185.29  4.86
9    -187.11  5.45
10    -187.21  3.96
11    -188.82  4.64
12    -188.92  4.31
13    -189.05  4.44
14    -189.35  4.13
15    -189.63  4.77
16    -190.43  4.06
17    -191.01  4.02
18    -191.13  4.79
19    -191.32  4.13
20    -191.35  4.49
21    -192.19  4.86
22    -192.22  3.72
23    -192.49  4.79
24    -192.77  4.06
25    -192.94  4.43
26    -193.42  4.56
27    -193.74  3.90
28    -194.27  4.26
29    -194.78  3.94
30    -194.86  3.75
31    -195.26  4.36
32    -195.34  5.25
33    -195.72  4.68
34    -195.92  4.79
35    -196.42  4.47
36    -196.71  4.66
37    -196.82  4.31
38    -197.33  4.33
39    -197.39  4.74
40    -197.46  5.26
41    -197.64  4.52
42    -197.69  4.47
43    -197.84  4.64
44    -198.06  4.86
45    -198.10  4.38
46    -198.11  5.20
47    -198.23  4.16
48    -198.29  4.25
49    -198.42  4.04
50    -198.60  4.20
51    -198.62  3.99
52    -198.70  4.41
53    -198.75  4.37
54    -198.87  4.50
55    -199.02  4.42
56    -199.19  4.78
57    -199.47  4.66
58    -199.48  4.67
59    -199.86  3.98
60    -200.00  4.27
61    -200.38  5.12
62    -200.49  4.59
63    -200.69  4.18
64    -200.85  4.86
65    -201.18  4.81
66    -201.25  4.79
67    -201.36  4.97
68    -201.67  4.13
69    -201.69  4.27
70    -201.85  4.51
71    -202.04  4.00
72    -202.07  5.43
73    -202.23  3.85
74    -202.25  4.64
75    -202.30  4.44
76    -202.42  4.23
77    -202.53  4.81
78    -202.53  4.49
79    -202.70  4.38
80    -202.74  4.67
81    -202.80  4.47
82    -202.82  4.65
83    -202.86  4.19
84    -203.03  4.13
85    -203.08  3.72
86    -203.11  4.19
87    -203.11  3.98
88    -203.32  4.05
89    -203.41  4.25
90    -203.42  4.34
91    -203.54  4.30
92    -203.61  4.75
93    -203.66  4.42
94    -203.89  4.94
95    -203.93  4.03
96    -203.95  3.52
97    -204.03  4.72
98    -204.05  4.15
99    -204.24  4.72
100    -204.33  3.85
101    -204.45  4.15
102    -204.59  4.40
103    -204.61  4.33
104    -204.62  4.37
105    -204.62  4.73
106    -204.73  4.17
107    -204.76  3.98
108    -204.92  4.99
109    -205.03  4.48
110    -205.28  4.89
111    -205.33  4.65
112    -205.47  4.81
113    -205.49  4.34
114    -205.53  3.47
115    -205.64  4.28
116    -205.72  4.36
117    -205.83  4.52
118    -205.88  4.60
119    -206.00  3.79
120    -206.04  4.13
121    -206.31  4.96
122    -206.42  4.64
123    -206.46  5.03
124    -206.61  4.31
125    -206.86  4.37
126    -207.05  4.00
127    -207.19  4.28
128    -207.22  4.56
129    -207.23  3.62
130    -207.31  4.12
131    -207.32  4.38
132    -207.38  3.72
133    -207.43  4.49
134    -207.46  4.40
135    -207.53  4.21
136    -207.61  3.92
137    -207.70  4.36
138    -207.70  4.48
139    -207.71  4.57
140    -207.82  3.75
141    -207.93  4.84
142    -208.08  4.59
143    -208.32  4.12
144    -208.47  3.81
145    -208.65  3.50
146    -208.65  3.85
147    -208.73  4.16
148    -208.78  4.31
149    -208.91  3.28
150    -208.93  4.22
151    -208.93  4.07
152    -208.98  3.65
153    -209.26  4.14
154    -209.30  4.63
155    -209.35  3.53
156    -209.36  4.09
157    -209.51  3.94
158    -209.51  3.92
159    -209.58  3.62
160    -209.83  3.71
161    -209.94  4.33
162    -209.98  3.87
163    -210.00  4.49
164    -210.07  3.96
165    -210.07  4.39
166    -210.09  4.31
167    -210.14  4.09
168    -210.23  3.84
169    -210.24  4.00
170    -210.30  4.12
171    -210.33  4.41
172    -210.33  4.29
173    -210.34  3.51
174    -210.39  4.34
175    -210.39  4.17
176    -210.53  3.76
177    -210.69  4.41
178    -210.74  3.54
179    -210.75  3.91
180    -210.79  3.81
181    -210.90  4.70
182    -211.01  4.97
183    -211.04  4.12
184    -211.08  4.00
185    -211.08  3.69
186    -211.09  3.63
187    -211.10  4.71
188    -211.44  4.91
189    -211.44  4.20
190    -211.47  3.89
191    -211.50  4.41
192    -211.55  3.98
193    -211.60  4.56
194    -211.70  3.31
195    -211.71  3.39
196    -211.72  4.16
197    -211.85  3.96
198    -211.92  3.95
199    -211.97  3.42
200    -212.00  3.74
201    -212.02  4.86
202    -212.13  3.95
203    -212.19  3.71
204    -212.31  4.14
205    -212.32  3.95
206    -212.53  4.74
207    -212.57  4.02
208    -212.66  4.02
209    -212.71  3.79
210    -212.73  4.39
211    -212.82  4.17
212    -212.83  4.89
213    -212.84  3.98
214    -212.99  3.95
215    -213.06  4.00
216    -213.15  4.51
217    -213.21  4.65
218    -213.29  5.14
219    -213.32  4.94
220    -213.34  4.74
221    -213.37  4.60
222    -213.39  4.81
223    -213.39  4.13
224    -213.40  4.06
225    -213.42  4.96
226    -213.50  4.16
227    -213.51  4.13
228    -213.52  3.85
229    -213.54  5.10
230    -213.64  4.14
231    -213.67  3.26
232    -213.68  4.33
233    -213.70  4.43
234    -213.77  3.94
235    -213.77  4.24
236    -213.81  3.75
237    -213.83  3.70
238    -213.84  4.50
239    -213.86  3.79
240    -213.86  4.48
241    -213.87  4.40
242    -213.93  4.53
243    -213.96  3.69
244    -214.04  4.29
245    -214.07  4.02
246    -214.22  4.18
247    -214.23  3.77
248    -214.27  3.69
249    -214.29  3.73
250    -214.30  4.35
251    -214.33  3.79
252    -214.36  3.85
253    -214.36  3.23
254    -214.39  4.26
255    -214.42  3.77
256    -214.45  3.73
257    -214.53  3.50
258    -214.55  3.78
259    -214.59  4.08
260    -214.63  4.18
261    -214.63  3.27
262    -214.69  3.81
263    -214.74  4.27
264    -214.76  5.07
265    -214.78  4.26
266    -214.78  3.97
267    -214.79  3.92
268    -214.82  4.21
269    -214.95  4.10
270    -214.95  4.45
271    -214.97  4.36
272    -214.97  3.72
273    -215.00  4.29
274    -215.05  3.68
275    -215.11  3.97
276    -215.11  4.61
277    -215.19  4.62
278    -215.20  3.95
279    -215.21  3.85
280    -215.25  4.49
281    -215.30  4.52
282    -215.50  4.13
283    -215.53  3.52
284    -215.53  3.92
285    -215.58  4.23
286    -215.69  3.50
287    -215.75  3.42
288    -215.77  3.86
289    -215.84  4.27
290    -215.89  4.74
291    -215.96  3.72
292    -215.98  4.70
293    -216.12  4.00
294    -216.16  4.44
295    -216.19  3.94
296    -216.24  3.77
297    -216.32  3.38
298    -216.35  4.64
299    -216.40  4.77
300    -216.41  4.16
301    -216.46  3.54
302    -216.46  4.34
303    -216.51  3.91
304    -216.54  4.58
305    -216.56  4.24
306    -216.57  4.05
307    -216.57  4.57
308    -216.60  3.81
309    -216.65  4.23
310    -216.71  4.05
311    -216.74  4.05
312    -216.84  3.52
313    -217.06  4.07
314    -217.12  4.22
315    -217.13  4.19
316    -217.16  3.98
317    -217.17  3.91
318    -217.20  3.43
319    -217.31  3.95
320    -217.36  4.19
321    -217.37  3.68
322    -217.38  3.57
323    -217.41  5.65
324    -217.44  3.83
325    -217.50  3.89
326    -217.52  3.83
327    -217.59  3.37
328    -217.61  3.90
329    -217.65  4.47
330    -217.65  4.01
331    -217.67  4.21
332    -217.81  4.04
333    -217.88  4.21
334    -217.89  3.98
335    -217.91  4.77
336    -217.92  3.45
337    -217.94  4.01
338    -217.94  4.22
339    -218.07  3.72
340    -218.12  3.96
341    -218.16  3.55
342    -218.18  3.62
343    -218.20  4.04
344    -218.23  4.08
345    -218.33  4.22
346    -218.33  4.02
347    -218.39  4.27
348    -218.40  4.20
349    -218.42  3.95
350    -218.42  3.92
351    -218.45  3.84
352    -218.54  4.15
353    -218.55  3.35
354    -218.59  3.76
355    -218.64  4.96
356    -218.65  5.18
357    -218.66  3.87
358    -218.71  4.09
359    -218.85  4.60
360    -218.86  3.60
361    -218.95  3.82
362    -219.05  4.12
363    -219.08  3.92
364    -219.10  4.64
365    -219.11  3.83
366    -219.14  4.11
367    -219.17  4.07
368    -219.22  3.50
369    -219.25  4.13
370    -219.26  3.64
371    -219.26  4.16
372    -219.34  3.57
373    -219.37  4.11
374    -219.38  4.76
375    -219.42  3.92
376    -219.44  3.92
377    -219.49  3.36
378    -219.49  4.12
379    -219.51  3.89
380    -219.53  4.08
381    -219.62  4.34
382    -219.69  3.94
383    -219.74  4.11
384    -219.85  3.61
385    -219.90  3.79
386    -219.92  4.96
387    -219.92  4.03
388    -219.94  4.16
389    -219.95  3.93
390    -219.96  4.08
391    -219.96  3.77
392    -219.99  3.93
393    -220.02  4.06
394    -220.02  4.00
395    -220.05  4.31
396    -220.06  4.05
397    -220.07  3.93
398    -220.08  4.05
399    -220.10  4.02
400    -220.12  4.19
401    -220.16  4.30
402    -220.25  4.76
403    -220.25  3.65
404    -220.36  3.95
405    -220.39  4.33
406    -220.46  3.25
407    -220.46  4.02
408    -220.49  3.84
409    -220.50  4.17
410    -220.50  3.78
411    -220.53  4.15
412    -220.58  3.87
413    -220.65  3.78
414    -220.66  4.03
415    -220.67  3.90
416    -220.72  4.14
417    -220.73  3.39
418    -220.74  4.04
419    -220.78  3.67
420    -220.85  3.32
421    -220.95  3.89
422    -220.96  3.30
423    -220.96  3.83
424    -221.03  3.80
425    -221.09  3.89
426    -221.11  4.73
427    -221.11  4.11
428    -221.13  3.84
429    -221.20  4.27
430    -221.24  3.95
431    -221.25  3.80
432    -221.28  4.30
433    -221.32  3.33
434    -221.33  4.26
435    -221.35  3.94
436    -221.36  3.88
437    -221.39  4.15
438    -221.46  3.96
439    -221.50  3.61
440    -221.50  4.11
441    -221.62  3.92
442    -221.63  4.17
443    -221.65  3.60
444    -221.68  4.13
445    -221.69  3.66
446    -221.73  4.16
447    -221.74  3.96
448    -221.77  3.75
449    -221.79  4.30
450    -221.86  4.48
451    -221.90  3.64
452    -221.97  3.88
453    -222.00  3.84
454    -222.08  4.12
455    -222.12  4.35
456    -222.16  4.20
457    -222.17  4.15
458    -222.21  3.93
459    -222.30  3.90
460    -222.33  3.67
461    -222.36  4.56
462    -222.36  4.00
463    -222.38  4.50
464    -222.46  3.92
465    -222.47  3.96
466    -222.49  4.23
467    -222.53  4.03
468    -222.54  4.07
469    -222.56  3.43
470    -222.61  4.22
471    -222.67  5.34
472    -222.70  3.73
473    -222.72  4.15
474    -222.74  3.80
475    -222.75  4.25
476    -222.76  3.76
477    -222.78  4.57
478    -222.85  3.76
479    -222.93  4.00
480    -222.95  3.64
481    -222.97  4.60
482    -222.97  3.43
483    -223.03  4.07
484    -223.03  3.51
485    -223.04  4.27
486    -223.06  3.72
487    -223.07  3.94
488    -223.13  3.38
489    -223.13  4.73
490    -223.19  4.22
491    -223.21  4.55
492    -223.21  3.81
493    -223.24  4.30
494    -223.30  3.66
495    -223.31  3.52
496    -223.31  5.10
497    -223.35  4.17
498    -223.36  3.98
499    -223.47  3.91
500    -223.56  3.76
501    -223.57  4.18
502    -223.59  4.05
503    -223.67  4.36
504    -223.73  4.08
505    -223.78  4.04
506    -223.79  4.24
507    -223.82  4.32
508    -223.87  3.92
509    -223.89  4.20
510    -223.95  3.69
511    -223.98  4.11
512    -224.03  3.37
513    -224.06  3.72
514    -224.07  3.88
515    -224.10  4.03
516    -224.17  3.89
517    -224.18  4.07
518    -224.19  3.66
519    -224.23  3.25
520    -224.23  4.05
521    -224.24  4.09
522    -224.25  4.51
523    -224.32  4.16
524    -224.32  4.13
525    -224.39  3.81
526    -224.46  3.69
527    -224.51  4.11
528    -224.53  4.44
529    -224.55  3.49
530    -224.58  4.23
531    -224.62  3.87
532    -224.65  4.15
533    -224.67  4.39
534    -224.67  3.90
535    -224.69  3.94
536    -224.71  4.21
537    -224.73  4.27
538    -224.74  4.53
539    -224.84  3.79
540    -224.87  3.95
541    -306.85  9.00
542    -308.36 10.65
543    -314.28 10.71
544    -314.35  8.77
545    -317.97  9.29
546    -320.46  9.50
547    -326.22  9.00
548    -326.26  9.44
549    -328.57  9.13
550    -333.60  9.19
551    -337.15  8.50
552    -338.55  8.91
553    -338.93  9.01
554    -338.93  9.63
555    -342.83  8.37
556    -343.23  9.65
557    -344.51  9.73
558    -345.26  8.54
559    -346.49  9.93
560    -346.96  9.57
561    -348.29  9.14
562    -352.34  9.91
563    -352.63  9.02
564    -353.07  8.21
565    -353.46  8.16
566    -356.95  9.52
567    -358.21  9.21
568    -358.53 11.32
569    -358.61  9.63
570    -359.03  8.14
571    -360.21  8.92
572    -363.74  8.90
573    -365.09  9.15
574    -365.48  8.51
575    -365.50  8.78
576    -369.23 10.88
577    -369.96 10.40
578    -371.25  8.85
579    -371.92 10.84
580    -373.19 10.30
581    -373.77  8.28
582    -374.01  8.66
583    -374.65  9.77
584    -376.15  9.71
585    -377.44 10.28
586    -377.99  8.40
587    -378.51 11.49
588    -378.52 10.27
589    -378.57  8.96
590    -380.72  9.55
591    -381.94 11.17
592    -383.41 10.68
593    -384.19 10.39
594    -386.61 10.25
595    -387.22 10.09
596    -389.39 10.34
597    -390.02 10.64
598    -390.79 11.32
599    -391.10  9.63
600    -391.92 10.41
601    -393.31  9.64
602    -394.47  9.86
603    -394.83 10.86
604    -395.57 10.11
605    -395.83 10.74
606    -396.73  9.28
607    -396.88  9.93
608    -397.70 11.15
609    -397.94 10.51
610    -398.51 11.07
611    -398.93 10.72
612    -401.02 10.36
613    -401.03  9.71
614    -401.73 10.97
615    -401.78 10.32
616    -402.58  8.23
617    -403.15 10.44
618    -403.70 10.79
619    -406.71 10.37
620    -407.70  9.90
621    -407.98 10.47
622    -408.91 10.55
623    -409.11 10.05
624    -410.48 10.61
625    -415.83 10.68
626    -416.60 10.54
627    -417.11 10.31
628    -418.07 10.25
629    -420.84  9.72
630    -422.16 10.27
631    -425.79 10.40
632    -426.17 10.25
633    -426.70 10.03
$$

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 26 mins 6.75 secs (   1566.75 secs)
Finished: Thu Apr 21 18:04:15 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                   2.6.1 ***
*************************************************************************************


---------
ENSEMBLES
---------

   Packing Ensemble: ensemble1

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "ensemble1" Point Group: 1

----------------------
STRUCTURES FOR PACKING
----------------------

   Packing will be performed with "trace" atoms
      : C-alphas for protein
      : P C3* & C4* for single stranded nucleic acid
      : P C3* & C4* and N (bases) for double stranded nucleic acid
   If there are no trace atoms in the molecule(s) all atoms will be used in the
   packing test
   If the trace length exceeds 1000 atoms then the molecule(s) will be sampled on a
   hexagonal grid and the clash distance increased in proportion to the size of the
   hexagonal grid sampling
   When an ensemble consists of more than one structure, the structure with the
   highest homology is selected for packing and the structure trimmed of loops that
   diverge more than 3A from other atoms in the ensemble


   Ensemble: ensemble1
   -------------------
   All atoms =  707
   Structure with lowest rms = 2N2D-model1.pdb (0.362426)
   Trace length = 155
   Trace atoms clash if they are closer than  3.00 Angstroms


----------------
PACKING FUNCTION
----------------

   There are 633 solutions to pack
   Spreading calculation onto 2 threads.
   Packing analysis
   0%                                                               100%
   |================================================================| DONE


-------------------------------------------------------------------------------------
Warning: Packing Component #6
Solutions with Z-scores greater than  8.0 (the threshold indicating a definite
solution) failed the packing test
#541 TFZ= 9.0 PAK=248
#542 TFZ=10.7 PAK=167
#543 TFZ=10.7 PAK=356
#544 TFZ= 8.8 PAK=247
#545 TFZ= 9.3 PAK=466
#546 TFZ= 9.5 PAK=500
#547 TFZ= 9.0 PAK=311
#548 TFZ= 9.4 PAK=465
#549 TFZ= 9.1 PAK=513
#550 TFZ= 9.2 PAK=383
#551 TFZ= 8.5 PAK=481
#552 TFZ= 8.9 PAK=321
#553 TFZ= 9.0 PAK=477
#554 TFZ= 9.6 PAK=394
#555 TFZ= 8.4 PAK=377
#556 TFZ= 9.6 PAK=463
#557 TFZ= 9.7 PAK=175
#558 TFZ= 8.5 PAK=377
#559 TFZ= 9.9 PAK=361
#560 TFZ= 9.6 PAK=387
#561 TFZ= 9.1 PAK=481
#562 TFZ= 9.9 PAK=491
#563 TFZ= 9.0 PAK=378
#564 TFZ= 8.2 PAK=381
#565 TFZ= 8.2 PAK=149
#566 TFZ= 9.5 PAK=318
#567 TFZ= 9.2 PAK=334
#568 TFZ=11.3 PAK=597
#569 TFZ= 9.6 PAK=449
#570 TFZ= 8.1 PAK=470
#571 TFZ= 8.9 PAK=376
#572 TFZ= 8.9 PAK=360
#573 TFZ= 9.1 PAK=351
#574 TFZ= 8.5 PAK=483
#575 TFZ= 8.8 PAK=583
#576 TFZ=10.9 PAK=590
#577 TFZ=10.4 PAK=319
#578 TFZ= 8.8 PAK=336
#579 TFZ=10.8 PAK=374
#580 TFZ=10.3 PAK=252
#581 TFZ= 8.3 PAK=576
#582 TFZ= 8.7 PAK=602
#583 TFZ= 9.8 PAK=490
#584 TFZ= 9.7 PAK=379
#585 TFZ=10.3 PAK=481
#586 TFZ= 8.4 PAK=412
#587 TFZ=11.5 PAK=375
#588 TFZ=10.3 PAK=320
#589 TFZ= 9.0 PAK=347
#590 TFZ= 9.6 PAK=373
#591 TFZ=11.2 PAK=143
#592 TFZ=10.7 PAK=375
#593 TFZ=10.4 PAK=503
#594 TFZ=10.2 PAK=572
#595 TFZ=10.1 PAK=470
#596 TFZ=10.3 PAK=498
#597 TFZ=10.6 PAK=434
#598 TFZ=11.3 PAK=359
#599 TFZ= 9.6 PAK=363
#600 TFZ=10.4 PAK=505
#601 TFZ= 9.6 PAK=506
#602 TFZ= 9.9 PAK=351
#603 TFZ=10.9 PAK=461
#604 TFZ=10.1 PAK=243
#605 TFZ=10.7 PAK=484
#606 TFZ= 9.3 PAK=365
#607 TFZ= 9.9 PAK=490
#608 TFZ=11.1 PAK=357
#609 TFZ=10.5 PAK=512
#610 TFZ=11.1 PAK=146
#611 TFZ=10.7 PAK=383
#612 TFZ=10.4 PAK=357
#613 TFZ= 9.7 PAK=493
#614 TFZ=11.0 PAK=278
#615 TFZ=10.3 PAK=439
#616 TFZ= 8.2 PAK=428
#617 TFZ=10.4 PAK=504
#618 TFZ=10.8 PAK=449
#619 TFZ=10.4 PAK=386
#620 TFZ= 9.9 PAK=584
#621 TFZ=10.5 PAK=387
#622 TFZ=10.5 PAK=391
#623 TFZ=10.1 PAK=379
#624 TFZ=10.6 PAK=265
#625 TFZ=10.7 PAK=172
#626 TFZ=10.5 PAK=162
#627 TFZ=10.3 PAK=381
#628 TFZ=10.2 PAK=317
#629 TFZ= 9.7 PAK=380
#630 TFZ=10.3 PAK=419
#631 TFZ=10.4 PAK=416
#632 TFZ=10.3 PAK=331
#633 TFZ=10.0 PAK=479
These solutions were carried in solution list
-------------------------------------------------------------------------------------



   Packing Table
   -------------
   Solutions accepted if total number of clashes <= 5% of trace atoms
      i.e. total number of clashes <= 46
   AND if number of clashes <= 5% of trace atoms for each ensemble
      i.e. ensemble1: number of clashes <= 7
   #in  #out Clashes Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    ---  >47     --       4     1    1       -175.92  5.15  P 32       
   2    ---  >47     --       5    16    1       -179.03  5.08  P 32       
   3    ---  >47     --      10     1    1       -179.33  5.10  P 31       
   4    ---  >47     --       5    16    2       -182.43  4.81  P 32       
   5    ---  >47     --       5     2    1       -182.55  4.77  P 32       
   6    ---  >47     --       5    16    3       -183.67  4.13  P 32       
   7    ---  >47     --       5    16    4       -184.62  4.47  P 32       
   8    ---  >47     --       5    32    1       -185.29  4.86  P 32       
   9    ---  >47     --      12     1    1       -187.11  5.45  P 31       
   10   ---  >47     --       5     1    1       -187.21  3.96  P 32       
   11   ---  >47     --       5    20    1       -188.82  4.64  P 32       
   12   ---  >47     --       4     1    2       -188.92  4.31  P 32       
   13   ---  >47     --       5    18    1       -189.05  4.44  P 32       
   14   ---  >47     --       4     1    3       -189.35  4.13  P 32       
   15   ---  >47     --       5    32    2       -189.63  4.77  P 32       
   16   ---  >47     --       5     2    2       -190.43  4.06  P 32       
   17   ---  >47     --       5     1    2       -191.01  4.02  P 32       
   18   ---  >47     --       5    32    3       -191.13  4.79  P 32       
   19   ---  >47     --       4     1    4       -191.32  4.13  P 32       
   20   ---  >47     --       5     3    1       -191.35  4.49  P 32       
   21   ---  >47     --       4     1    5       -192.19  4.86  P 32       
   22   ---  >47     --       5     1    3       -192.22  3.72  P 32       
   23   ---  >47     --       5     1    4       -192.49  4.79  P 32       
   24   ---  >47     --       5     1    5       -192.77  4.06  P 32       
   25   ---  >47     --      10     1    2       -192.94  4.43  P 31       
   26   ---  >47     --      10     1    3       -193.42  4.56  P 31       
   27   ---  >47     --       5     1    6       -193.74  3.90  P 32       
   28   ---  >47     --       5    16    5       -194.27  4.26  P 32       
   29   ---  >47     --       5     1    7       -194.78  3.94  P 32       
   30   ---  >47     --       5     1    8       -194.86  3.75  P 32       
   31   ---  >47     --      12     1    2       -195.26  4.36  P 31       
   32   ---  >47     --      11     3    1       -195.34  5.25  P 31       
   33   ---  >47     --      12     1    3       -195.72  4.68  P 31       
   34   ---  >47     --       5     3    2       -195.92  4.79  P 32       
   35   ---  >47     --       6     1    1       -196.42  4.47  P 31       
   36   ---  >47     --       5    28    1       -196.71  4.66  P 32       
   37   ---  >47     --       5    17    1       -196.82  4.31  P 32       
   38   ---  >47     --      12     1    4       -197.33  4.33  P 31       
   39   ---  >47     --      10     1    4       -197.39  4.74  P 31       
   40   ---  >47     --      11     4    1       -197.46  5.26  P 31       
   41   ---  >47     --       5     5    1       -197.64  4.52  P 32       
   42   ---  >47     --      12     1    5       -197.69  4.47  P 31       
   43   ---  >47     --       3     1    1       -197.84  4.64  P 32       
   44   ---  >47     --       2     5    1       -198.06  4.86  P 32       
   45   ---  >47     --       5     6    1       -198.10  4.38  P 32       
   46   ---  >47     --      13     1    1       -198.11  5.20  P 32       
   47   ---  >47     --       5     1    9       -198.23  4.16  P 32       
   48   ---  >47     --       5     6    2       -198.29  4.25  P 32       
   49   ---  >47     --       5    16    6       -198.42  4.04  P 32       
   50   ---  >47     --       5    10    1       -198.60  4.20  P 32       
   51   ---  >47     --       5    12    1       -198.62  3.99  P 32       
   52   ---  >47     --       5     2    3       -198.70  4.41  P 32       
   53   ---  >47     --       5     4    1       -198.75  4.37  P 32       
   54   ---  >47     --       5     2    4       -198.87  4.50  P 32       
   55   ---  >47     --       5    21    1       -199.02  4.42  P 32       
   56   ---  >47     --      11     3    2       -199.19  4.78  P 31       
   57   ---  >47     --       2     4    1       -199.47  4.66  P 32       
   58   ---  >47     --       5     8    1       -199.48  4.67  P 32       
   59   ---  >47     --       5     4    2       -199.86  3.98  P 32       
   60   ---  >47     --       4     1    6       -200.00  4.27  P 32       
   61   ---  >47     --       5    32    4       -200.38  5.12  P 32       
   62   ---  >47     --       5    26    1       -200.49  4.59  P 32       
   63   ---  >47     --       5     3    3       -200.69  4.18  P 32       
   64   ---  >47     --       5     9    1       -200.85  4.86  P 32       
   65   ---  >47     --       5     2    5       -201.18  4.81  P 32       
   66   ---  >47     --       5     2    6       -201.25  4.79  P 32       
   67   ---  >47     --       5    21    2       -201.36  4.97  P 32       
   68   ---  >47     --       5    29    1       -201.67  4.13  P 32       
   69   ---  >47     --       3     1    2       -201.69  4.27  P 32       
   70   ---  >47     --       5    18    2       -201.85  4.51  P 32       
   71   ---  >47     --       5    18    3       -202.04  4.00  P 32       
   72   ---  >47     --      38     6    1       -202.07  5.43  P 31       
   73   ---  >47     --       5     1   10       -202.23  3.85  P 32       
   74   ---  >47     --       2     5    2       -202.25  4.64  P 32       
   75   ---  >47     --       5    10    2       -202.30  4.44  P 32       
   76   ---  >47     --       5    51    1       -202.42  4.23  P 32       
   77   ---  >47     --       2     9    1       -202.53  4.81  P 32       
   78   ---  >47     --       5    36    1       -202.53  4.49  P 32       
   79   ---  >47     --       5     4    3       -202.70  4.38  P 32       
   80   ---  >47     --       5    30    1       -202.74  4.67  P 32       
   81   ---  >47     --       5    12    2       -202.80  4.47  P 32       
   82   ---  >47     --      12     1    6       -202.82  4.65  P 31       
   83   ---  >47     --       4     1    7       -202.86  4.19  P 32       
   84   ---  >47     --       5    16    7       -203.03  4.13  P 32       
   85   ---  >47     --       5    13    1       -203.08  3.72  P 32       
   86   ---  >47     --       2     1    1       -203.11  4.19  P 32       
   87   ---  >47     --       5    10    3       -203.11  3.98  P 32       
   88   ---  >47     --       5     4    4       -203.32  4.05  P 32       
   89   ---  >47     --       5     6    3       -203.41  4.25  P 32       
   90   ---  >47     --       8     1    1       -203.42  4.34  P 31       
   91   ---  >47     --       5    28    2       -203.54  4.30  P 32       
   92   ---  >47     --      12     3    1       -203.61  4.75  P 31       
   93   ---  >47     --       5    33    1       -203.66  4.42  P 32       
   94   ---  >47     --       5    23    1       -203.89  4.94  P 32       
   95   ---  >47     --       5     2    7       -203.93  4.03  P 32       
   96   ---  >47     --       5     1   11       -203.95  3.52  P 32       
   97   ---  >47     --       5     3    4       -204.03  4.72  P 32       
   98   ---  >47     --       5    13    2       -204.05  4.15  P 32       
   99   ---  >47     --      11     3    3       -204.24  4.72  P 31       
   100  ---  >47     --       5     7    1       -204.33  3.85  P 32       
   101  ---  >47     --       5    32    5       -204.45  4.15  P 32       
   102  ---  >47     --       5    17    2       -204.59  4.40  P 32       
   103  ---  >47     --       5     4    5       -204.61  4.33  P 32       
   104  ---  >47     --       5     6    4       -204.62  4.37  P 32       
   105  ---  >47     --       5    36    2       -204.62  4.73  P 32       
   106  ---  >47     --       2     3    1       -204.73  4.17  P 32       
   107  ---  >47     --       5     2    8       -204.76  3.98  P 32       
   108  ---  >47     --       5    27    1       -204.92  4.99  P 32       
   109  ---  >47     --       2     6    1       -205.03  4.48  P 32       
   110  ---  >47     --       2     4    2       -205.28  4.89  P 32       
   111  ---  >47     --       5    10    4       -205.33  4.65  P 32       
   112  ---  >47     --       5    30    2       -205.47  4.81  P 32       
   113  ---  >47     --       5     1   12       -205.49  4.34  P 32       
   114  ---  >47     --       5     1   13       -205.53  3.47  P 32       
   115  ---  >47     --       3     1    3       -205.64  4.28  P 32       
   116  ---  >47     --       5    26    2       -205.72  4.36  P 32       
   117  ---  >47     --       2     9    2       -205.83  4.52  P 32       
   118  ---  >47     --      13     1    2       -205.88  4.60  P 32       
   119  ---  >47     --       5     2    9       -206.00  3.79  P 32       
   120  ---  >47     --       5     4    6       -206.04  4.13  P 32       
   121  ---  >47     --       9     1    1       -206.31  4.96  P 31       
   122  ---  >47     --       9     1    2       -206.42  4.64  P 31       
   123  ---  >47     --       5    34    1       -206.46  5.03  P 32       
   124  ---  >47     --       2     1    2       -206.61  4.31  P 32       
   125  ---  >47     --       5     7    2       -206.86  4.37  P 32       
   126  ---  >47     --       5     3    5       -207.05  4.00  P 32       
   127  ---  >47     --       5    20    2       -207.19  4.28  P 32       
   128  ---  >47     --       5    29    2       -207.22  4.56  P 32       
   129  ---  >47     --       5     4    7       -207.23  3.62  P 32       
   130  ---  >47     --       4     1    8       -207.31  4.12  P 32       
   131  ---  >47     --       5    35    1       -207.32  4.38  P 32       
   132  ---  >47     --       5     4    8       -207.38  3.72  P 32       
   133  ---  >47     --       2     2    1       -207.43  4.49  P 32       
   134  ---  >47     --       5    26    3       -207.46  4.40  P 32       
   135  ---  >47     --       5    29    3       -207.53  4.21  P 32       
   136  ---  >47     --       5     4    9       -207.61  3.92  P 32       
   137  ---  >47     --       5    16    8       -207.70  4.36  P 32       
   138  ---  >47     --       5    47    1       -207.70  4.48  P 32       
   139  ---  >47     --       2     1    3       -207.71  4.57  P 32       
   140  ---  >47     --       5     5    2       -207.82  3.75  P 32       
   141  ---  >47     --       5    47    2       -207.93  4.84  P 32       
   142  ---  >47     --       5    44    1       -208.08  4.59  P 32       
   143  ---  >47     --       5    17    3       -208.32  4.12  P 32       
   144  ---  >47     --       5     1   14       -208.47  3.81  P 32       
   145  ---  >47     --       5     1   15       -208.65  3.50  P 32       
   146  ---  >47     --       5    30    3       -208.65  3.85  P 32       
   147  ---  >47     --       2     1    4       -208.73  4.16  P 32       
   148  ---  >47     --       2     5    3       -208.78  4.31  P 32       
   149  ---  >47     --       5     1   16       -208.91  3.28  P 32       
   150  ---  >47     --       5    10    5       -208.93  4.22  P 32       
   151  ---  >47     --       5    12    3       -208.93  4.07  P 32       
   152  ---  >47     --       5     4   10       -208.98  3.65  P 32       
   153  ---  >47     --       5    10    6       -209.26  4.14  P 32       
   154  ---  >47     --       5    35    2       -209.30  4.63  P 32       
   155  ---  >47     --       5     7    3       -209.35  3.53  P 32       
   156  ---  >47     --       5    20    3       -209.36  4.09  P 32       
   157  ---  >47     --       5    29    4       -209.51  3.94  P 32       
   158  ---  >47     --       5     8    2       -209.51  3.92  P 32       
   159  ---  >47     --       5     7    4       -209.58  3.62  P 32       
   160  ---  >47     --       5     1   17       -209.83  3.71  P 32       
   161  ---  >47     --       5    29    5       -209.94  4.33  P 32       
   162  ---  >47     --       5     2   10       -209.98  3.87  P 32       
   163  ---  >47     --       5     7    5       -210.00  4.49  P 32       
   164  ---  >47     --       5    20    4       -210.07  3.96  P 32       
   165  ---  >47     --       5    20    5       -210.07  4.39  P 32       
   166  ---  >47     --       5    21    3       -210.09  4.31  P 32       
   167  ---  >47     --       5    16    9       -210.14  4.09  P 32       
   168  ---  >47     --       5     2   11       -210.23  3.84  P 32       
   169  ---  >47     --       5    30    4       -210.24  4.00  P 32       
   170  ---  >47     --       5    22    1       -210.30  4.12  P 32       
   171  ---  >47     --       5    48    1       -210.33  4.41  P 32       
   172  ---  >47     --       5    12    4       -210.33  4.29  P 32       
   173  ---  >47     --       5     1   18       -210.34  3.51  P 32       
   174  ---  >47     --       5    35    3       -210.39  4.34  P 32       
   175  ---  >47     --       5    32    6       -210.39  4.17  P 32       
   176  ---  >47     --       5    10    7       -210.53  3.76  P 32       
   177  ---  >47     --       2     5    4       -210.69  4.41  P 32       
   178  ---  >47     --       5     1   19       -210.74  3.54  P 32       
   179  ---  >47     --       5     4   11       -210.75  3.91  P 32       
   180  ---  >47     --       5     4   12       -210.79  3.81  P 32       
   181  ---  >47     --       9     1    3       -210.90  4.70  P 31       
   182  ---  >47     --      13     1    3       -211.01  4.97  P 32       
   183  ---  >47     --       4     1    9       -211.04  4.12  P 32       
   184  ---  >47     --       5    11    1       -211.08  4.00  P 32       
   185  ---  >47     --       5     6    5       -211.08  3.69  P 32       
   186  ---  >47     --       5     3    6       -211.09  3.63  P 32       
   187  ---  >47     --       2     1    5       -211.10  4.71  P 32       
   188  ---  >47     --       5    27    2       -211.44  4.91  P 32       
   189  ---  >47     --       5    26    4       -211.44  4.20  P 32       
   190  ---  >47     --       5    17    4       -211.47  3.89  P 32       
   191  ---  >47     --       5    33    2       -211.50  4.41  P 32       
   192  ---  >47     --       5    17    5       -211.55  3.98  P 32       
   193  ---  >47     --       5    31    1       -211.60  4.56  P 32       
   194  ---  >47     --       5     1   20       -211.70  3.31  P 32       
   195  ---  >47     --       5     1   21       -211.71  3.39  P 32       
   196  ---  >47     --       5    19    1       -211.72  4.16  P 32       
   197  ---  >47     --       5    18    4       -211.85  3.96  P 32       
   198  ---  >47     --       5     7    6       -211.92  3.95  P 32       
   199  ---  >47     --       5     1   22       -211.97  3.42  P 32       
   200  ---  >47     --       5     1   23       -212.00  3.74  P 32       
   201  ---  >47     --      38     1    1       -212.02  4.86  P 31       
   202  ---  >47     --       5    15    1       -212.13  3.95  P 32       
   203  ---  >47     --       5     7    7       -212.19  3.71  P 32       
   204  ---  >47     --       5    48    2       -212.31  4.14  P 32       
   205  ---  >47     --       5     3    7       -212.32  3.95  P 32       
   206  ---  >47     --       5    31    2       -212.53  4.74  P 32       
   207  ---  >47     --       2     1    6       -212.57  4.02  P 32       
   208  ---  >47     --       5    20    6       -212.66  4.02  P 32       
   209  ---  >47     --       5     4   13       -212.71  3.79  P 32       
   210  ---  >47     --       5    29    6       -212.73  4.39  P 32       
   211  ---  >47     --       5     5    3       -212.82  4.17  P 32       
   212  ---  >47     --       5    44    2       -212.83  4.89  P 32       
   213  ---  >47     --       5    36    3       -212.84  3.98  P 32       
   214  ---  >47     --       5    31    3       -212.99  3.95  P 32       
   215  ---  >47     --       2     1    7       -213.06  4.00  P 32       
   216  ---  >47     --       2     2    2       -213.15  4.51  P 32       
   217  ---  >47     --      11     4    2       -213.21  4.65  P 31       
   218  ---  >47     --       5    24    1       -213.29  5.14  P 32       
   219  ---  >47     --      13     2    1       -213.32  4.94  P 32       
   220  ---  >47     --       5    39    1       -213.34  4.74  P 32       
   221  ---  >47     --      11     2    1       -213.37  4.60  P 31       
   222  ---  >47     --      33     4    1       -213.39  4.81  P 31       
   223  ---  >47     --       5    10    8       -213.39  4.13  P 32       
   224  ---  >47     --       2     1    8       -213.40  4.06  P 32       
   225  ---  >47     --      13     2    2       -213.42  4.96  P 32       
   226  ---  >47     --       5    32    7       -213.50  4.16  P 32       
   227  ---  >47     --       5    18    5       -213.51  4.13  P 32       
   228  ---  >47     --       5    11    2       -213.52  3.85  P 32       
   229  ---  >47     --      38     7    1       -213.54  5.10  P 31       
   230  ---  >47     --       5     6    6       -213.64  4.14  P 32       
   231  ---  >47     --       5     1   24       -213.67  3.26  P 32       
   232  ---  >47     --       5    18    6       -213.68  4.33  P 32       
   233  ---  >47     --      38     1    2       -213.70  4.43  P 31       
   234  ---  >47     --       5     1   25       -213.77  3.94  P 32       
   235  ---  >47     --       5    35    4       -213.77  4.24  P 32       
   236  ---  >47     --       5    16   10       -213.81  3.75  P 32       
   237  ---  >47     --       5     4   14       -213.83  3.70  P 32       
   238  ---  >47     --      11     3    4       -213.84  4.50  P 31       
   239  ---  >47     --       5     5    4       -213.86  3.79  P 32       
   240  ---  >47     --       2     4    3       -213.86  4.48  P 32       
   241  ---  >47     --       5     8    3       -213.87  4.40  P 32       
   242  ---  >47     --       5    48    3       -213.93  4.53  P 32       
   243  ---  >47     --       5     4   15       -213.96  3.69  P 32       
   244  ---  >47     --       5    55    1       -214.04  4.29  P 32       
   245  ---  >47     --       5     7    8       -214.07  4.02  P 32       
   246  ---  >47     --       5    23    2       -214.22  4.18  P 32       
   247  ---  >47     --       5    16   11       -214.23  3.77  P 32       
   248  ---  >47     --       5     5    5       -214.27  3.69  P 32       
   249  ---  >47     --       5     6    7       -214.29  3.73  P 32       
   250  ---  >47     --       5     3    8       -214.30  4.35  P 32       
   251  ---  >47     --       5    32    8       -214.33  3.79  P 32       
   252  ---  >47     --       5     5    6       -214.36  3.85  P 32       
   253  ---  >47     --       5     1   26       -214.36  3.23  P 32       
   254  ---  >47     --       5    30    5       -214.39  4.26  P 32       
   255  ---  >47     --       5     5    7       -214.42  3.77  P 32       
   256  ---  >47     --       5     3    9       -214.45  3.73  P 32       
   257  ---  >47     --       5     1   27       -214.53  3.50  P 32       
   258  ---  >47     --       5    10    9       -214.55  3.78  P 32       
   259  ---  >47     --       5    30    6       -214.59  4.08  P 32       
   260  ---  >47     --       5    43    1       -214.63  4.18  P 32       
   261  ---  >47     --       5     1   28       -214.63  3.27  P 32       
   262  ---  >47     --       5     1   29       -214.69  3.81  P 32       
   263  ---  >47     --       5     9    2       -214.74  4.27  P 32       
   264  ---  >47     --       5    12    5       -214.76  5.07  P 32       
   265  ---  >47     --       5    10   10       -214.78  4.26  P 32       
   266  ---  >47     --       5     2   12       -214.78  3.97  P 32       
   267  ---  >47     --       5    28    3       -214.79  3.92  P 32       
   268  ---  >47     --       5    12    6       -214.82  4.21  P 32       
   269  ---  >47     --       5    14    1       -214.95  4.10  P 32       
   270  ---  >47     --       5    52    1       -214.95  4.45  P 32       
   271  ---  >47     --       5    21    4       -214.97  4.36  P 32       
   272  ---  >47     --       5     1   30       -214.97  3.72  P 32       
   273  ---  >47     --       5    19    2       -215.00  4.29  P 32       
   274  ---  >47     --       5    16   12       -215.05  3.68  P 32       
   275  ---  >47     --       5    52    2       -215.11  3.97  P 32       
   276  ---  >47     --       2     5    5       -215.11  4.61  P 32       
   277  ---  >47     --       5    12    7       -215.19  4.62  P 32       
   278  ---  >47     --       5     7    9       -215.20  3.95  P 32       
   279  ---  >47     --       5    26    5       -215.21  3.85  P 32       
   280  ---  >47     --       5    21    5       -215.25  4.49  P 32       
   281  ---  >47     --       2     6    2       -215.30  4.52  P 32       
   282  ---  >47     --       5    36    4       -215.50  4.13  P 32       
   283  ---  >47     --       5     7   10       -215.53  3.52  P 32       
   284  ---  >47     --       5    32    9       -215.53  3.92  P 32       
   285  ---  >47     --       5    18    7       -215.58  4.23  P 32       
   286  ---  >47     --       5     7   11       -215.69  3.50  P 32       
   287  ---  >47     --       5     1   31       -215.75  3.42  P 32       
   288  ---  >47     --       5    12    8       -215.77  3.86  P 32       
   289  ---  >47     --       5    24    2       -215.84  4.27  P 32       
   290  ---  >47     --       5    24    3       -215.89  4.74  P 32       
   291  ---  >47     --       5     5    8       -215.96  3.72  P 32       
   292  ---  >47     --      13     1    4       -215.98  4.70  P 32       
   293  ---  >47     --       5    30    7       -216.12  4.00  P 32       
   294  ---  >47     --      10     1    5       -216.16  4.44  P 31       
   295  ---  >47     --       5    10   11       -216.19  3.94  P 32       
   296  ---  >47     --       5     3   10       -216.24  3.77  P 32       
   297  ---  >47     --       5     1   32       -216.32  3.38  P 32       
   298  ---  >47     --       5    46    1       -216.35  4.64  P 32       
   299  ---  >47     --       5    47    3       -216.40  4.77  P 32       
   300  ---  >47     --       5    10   12       -216.41  4.16  P 32       
   301  ---  >47     --       5     1   33       -216.46  3.54  P 32       
   302  ---  >47     --       5    39    2       -216.46  4.34  P 32       
   303  ---  >47     --       5    22    2       -216.51  3.91  P 32       
   304  ---  >47     --       5    28    4       -216.54  4.58  P 32       
   305  ---  >47     --       5    30    8       -216.56  4.24  P 32       
   306  ---  >47     --       5    11    3       -216.57  4.05  P 32       
   307  ---  >47     --       5    41    1       -216.57  4.57  P 32       
   308  ---  >47     --       5    14    2       -216.60  3.81  P 32       
   309  ---  >47     --       2     2    3       -216.65  4.23  P 32       
   310  ---  >47     --       5     1   34       -216.71  4.05  P 32       
   311  ---  >47     --       5    48    4       -216.74  4.05  P 32       
   312  ---  >47     --       5     7   12       -216.84  3.52  P 32       
   313  ---  >47     --       5    10   13       -217.06  4.07  P 32       
   314  ---  >47     --       5    52    3       -217.12  4.22  P 32       
   315  ---  >47     --       5    30    9       -217.13  4.19  P 32       
   316  ---  >47     --       5    21    6       -217.16  3.98  P 32       
   317  ---  >47     --       5    22    3       -217.17  3.91  P 32       
   318  ---  >47     --       5     1   35       -217.20  3.43  P 32       
   319  ---  >47     --       5    20    7       -217.31  3.95  P 32       
   320  ---  >47     --       5    35    5       -217.36  4.19  P 32       
   321  ---  >47     --       5    13    3       -217.37  3.68  P 32       
   322  ---  >47     --       5     1   36       -217.38  3.57  P 32       
   323  ---  >47     --      13    15    1       -217.41  5.65  P 32       
   324  ---  >47     --       5     4   16       -217.44  3.83  P 32       
   325  ---  >47     --       5    17    6       -217.50  3.89  P 32       
   326  ---  >47     --       5     4   17       -217.52  3.83  P 32       
   327  ---  >47     --       5     1   37       -217.59  3.37  P 32       
   328  ---  >47     --       5     5    9       -217.61  3.90  P 32       
   329  ---  >47     --      13     2    3       -217.65  4.47  P 32       
   330  ---  >47     --       5    22    4       -217.65  4.01  P 32       
   331  ---  >47     --       5    43    2       -217.67  4.21  P 32       
   332  ---  >47     --       5    29    7       -217.81  4.04  P 32       
   333  ---  >47     --       5    24    4       -217.88  4.21  P 32       
   334  ---  >47     --       5    32   10       -217.89  3.98  P 32       
   335  ---  >47     --      38     2    1       -217.91  4.77  P 31       
   336  ---  >47     --       5     1   38       -217.92  3.45  P 32       
   337  ---  >47     --       5    24    5       -217.94  4.01  P 32       
   338  ---  >47     --       5    29    8       -217.94  4.22  P 32       
   339  ---  >47     --       5    32   11       -218.07  3.72  P 32       
   340  ---  >47     --       5    10   14       -218.12  3.96  P 32       
   341  ---  >47     --       5     4   18       -218.16  3.55  P 32       
   342  ---  >47     --       5     2   13       -218.18  3.62  P 32       
   343  ---  >47     --       5    10   15       -218.20  4.04  P 32       
   344  ---  >47     --       5    32   12       -218.23  4.08  P 32       
   345  ---  >47     --       2     2    4       -218.33  4.22  P 32       
   346  ---  >47     --       5    11    4       -218.33  4.02  P 32       
   347  ---  >47     --      12     1    7       -218.39  4.27  P 31       
   348  ---  >47     --       2     1    9       -218.40  4.20  P 32       
   349  ---  >47     --       5    27    3       -218.42  3.95  P 32       
   350  ---  >47     --       5    13    4       -218.42  3.92  P 32       
   351  ---  >47     --       5    30   10       -218.45  3.84  P 32       
   352  ---  >47     --       5    41    2       -218.54  4.15  P 32       
   353  ---  >47     --       5     1   39       -218.55  3.35  P 32       
   354  ---  >47     --       5    32   13       -218.59  3.76  P 32       
   355  ---  >47     --       1     1    1       -218.64  4.96  P 32       
   356  ---  >47     --       2     5    6       -218.65  5.18  P 32       
   357  ---  >47     --       5    36    5       -218.66  3.87  P 32       
   358  ---  >47     --       5    32   14       -218.71  4.09  P 32       
   359  ---  >47     --       5    45    1       -218.85  4.60  P 32       
   360  ---  >47     --       5    17    7       -218.86  3.60  P 32       
   361  ---  >47     --       5     3   11       -218.95  3.82  P 32       
   362  ---  >47     --       5    53    1       -219.05  4.12  P 32       
   363  ---  >47     --       5    28    5       -219.08  3.92  P 32       
   364  ---  >47     --       5    47    4       -219.10  4.64  P 32       
   365  ---  >47     --       5    10   16       -219.11  3.83  P 32       
   366  ---  >47     --       5    35    6       -219.14  4.11  P 32       
   367  ---  >47     --       5    14    3       -219.17  4.07  P 32       
   368  ---  >47     --       5     1   40       -219.22  3.50  P 32       
   369  ---  >47     --       5    14    4       -219.25  4.13  P 32       
   370  ---  >47     --       5     7   13       -219.26  3.64  P 32       
   371  ---  >47     --       5    47    5       -219.26  4.16  P 32       
   372  ---  >47     --       5     4   19       -219.34  3.57  P 32       
   373  ---  >47     --       5    32   15       -219.37  4.11  P 32       
   374  ---  >47     --      33     3    1       -219.38  4.76  P 31       
   375  ---  >47     --       5     3   12       -219.42  3.92  P 32       
   376  ---  >47     --       5    30   11       -219.44  3.92  P 32       
   377  ---  >47     --       5     1   41       -219.49  3.36  P 32       
   378  ---  >47     --       5    46    2       -219.49  4.12  P 32       
   379  ---  >47     --       5    15    2       -219.51  3.89  P 32       
   380  ---  >47     --       5    21    7       -219.53  4.08  P 32       
   381  ---  >47     --       5    34    2       -219.62  4.34  P 32       
   382  ---  >47     --       5     6    8       -219.69  3.94  P 32       
   383  ---  >47     --       5    30   12       -219.74  4.11  P 32       
   384  ---  >47     --       5    17    8       -219.85  3.61  P 32       
   385  ---  >47     --       5    24    6       -219.90  3.79  P 32       
   386  ---  >47     --      38     6    2       -219.92  4.96  P 31       
   387  ---  >47     --       5    36    6       -219.92  4.03  P 32       
   388  ---  >47     --       5    24    7       -219.94  4.16  P 32       
   389  ---  >47     --       5     3   13       -219.95  3.93  P 32       
   390  ---  >47     --       5    25    1       -219.96  4.08  P 32       
   391  ---  >47     --       5     6    9       -219.96  3.77  P 32       
   392  ---  >47     --       5    13    5       -219.99  3.93  P 32       
   393  ---  >47     --       5    20    8       -220.02  4.06  P 32       
   394  ---  >47     --       5    25    2       -220.02  4.00  P 32       
   395  ---  >47     --       5    25    3       -220.05  4.31  P 32       
   396  ---  >47     --       5    33    3       -220.06  4.05  P 32       
   397  ---  >47     --       5    19    3       -220.07  3.93  P 32       
   398  ---  >47     --       5     6   10       -220.08  4.05  P 32       
   399  ---  >47     --       5    12    9       -220.10  4.02  P 32       
   400  ---  >47     --       2     3    2       -220.12  4.19  P 32       
   401  ---  >47     --      12     1    8       -220.16  4.30  P 31       
   402  ---  >47     --      38     6    3       -220.25  4.76  P 31       
   403  ---  >47     --       5     1   42       -220.25  3.65  P 32       
   404  ---  >47     --       5    17    9       -220.36  3.95  P 32       
   405  ---  >47     --       5    30   13       -220.39  4.33  P 32       
   406  ---  >47     --       5     1   43       -220.46  3.25  P 32       
   407  ---  >47     --       5    33    4       -220.46  4.02  P 32       
   408  ---  >47     --       5    14    5       -220.49  3.84  P 32       
   409  ---  >47     --       5    11    5       -220.50  4.17  P 32       
   410  ---  >47     --       5    13    6       -220.50  3.78  P 32       
   411  ---  >47     --       5    21    8       -220.53  4.15  P 32       
   412  ---  >47     --       5    12   10       -220.58  3.87  P 32       
   413  ---  >47     --       5     3   14       -220.65  3.78  P 32       
   414  ---  >47     --       5     6   11       -220.66  4.03  P 32       
   415  ---  >47     --       5    22    5       -220.67  3.90  P 32       
   416  ---  >47     --       5    51    2       -220.72  4.14  P 32       
   417  ---  >47     --       5     1   44       -220.73  3.39  P 32       
   418  ---  >47     --       5    48    5       -220.74  4.04  P 32       
   419  ---  >47     --       5     6   12       -220.78  3.67  P 32       
   420  ---  >47     --       5     1   45       -220.85  3.32  P 32       
   421  ---  >47     --       5     1   46       -220.95  3.89  P 32       
   422  ---  >47     --       5     1   47       -220.96  3.30  P 32       
   423  ---  >47     --       5    15    3       -220.96  3.83  P 32       
   424  ---  >47     --       5    27    4       -221.03  3.80  P 32       
   425  ---  >47     --       5     1   48       -221.09  3.89  P 32       
   426  ---  >47     --       5    28    6       -221.11  4.73  P 32       
   427  ---  >47     --       5    52    4       -221.11  4.11  P 32       
   428  ---  >47     --       5     5   10       -221.13  3.84  P 32       
   429  ---  >47     --       5    27    5       -221.20  4.27  P 32       
   430  ---  >47     --       5    32   16       -221.24  3.95  P 32       
   431  ---  >47     --       5     7   14       -221.25  3.80  P 32       
   432  ---  >47     --      38     7    2       -221.28  4.30  P 31       
   433  ---  >47     --       5     1   49       -221.32  3.33  P 32       
   434  ---  >47     --       5    35    7       -221.33  4.26  P 32       
   435  ---  >47     --       5    21    9       -221.35  3.94  P 32       
   436  ---  >47     --       5    28    7       -221.36  3.88  P 32       
   437  ---  >47     --       5    15    4       -221.39  4.15  P 32       
   438  ---  >47     --       5    22    6       -221.46  3.96  P 32       
   439  ---  >47     --       5     2   14       -221.50  3.61  P 32       
   440  ---  >47     --      38     1    3       -221.50  4.11  P 31       
   441  ---  >47     --       5    10   17       -221.62  3.92  P 32       
   442  ---  >47     --       2     1   10       -221.63  4.17  P 32       
   443  ---  >47     --       5     6   13       -221.65  3.60  P 32       
   444  ---  >47     --       5     4   20       -221.68  4.13  P 32       
   445  ---  >47     --       5     3   15       -221.69  3.66  P 32       
   446  ---  >47     --       5    46    3       -221.73  4.16  P 32       
   447  ---  >47     --       5    15    5       -221.74  3.96  P 32       
   448  ---  >47     --       5     7   15       -221.77  3.75  P 32       
   449  ---  >47     --       5     7   16       -221.79  4.30  P 32       
   450  ---  >47     --       5    11    6       -221.86  4.48  P 32       
   451  ---  >47     --       5     1   50       -221.90  3.64  P 32       
   452  ---  >47     --       5    26    6       -221.97  3.88  P 32       
   453  ---  >47     --       5    13    7       -222.00  3.84  P 32       
   454  ---  >47     --       5    55    2       -222.08  4.12  P 32       
   455  ---  >47     --       5    49    1       -222.12  4.35  P 32       
   456  ---  >47     --       5    52    5       -222.16  4.20  P 32       
   457  ---  >47     --       5    29    9       -222.17  4.15  P 32       
   458  ---  >47     --      38     1    4       -222.21  3.93  P 31       
   459  ---  >47     --       5     7   17       -222.30  3.90  P 32       
   460  ---  >47     --       5     1   51       -222.33  3.67  P 32       
   461  ---  >47     --       5    45    2       -222.36  4.56  P 32       
   462  ---  >47     --       5    18    8       -222.36  4.00  P 32       
   463  ---  >47     --       5    43    3       -222.38  4.50  P 32       
   464  ---  >47     --       5     6   14       -222.46  3.92  P 32       
   465  ---  >47     --       5    34    3       -222.47  3.96  P 32       
   466  ---  >47     --       5    21   10       -222.49  4.23  P 32       
   467  ---  >47     --       5    24    8       -222.53  4.03  P 32       
   468  ---  >47     --       5    43    4       -222.54  4.07  P 32       
   469  ---  >47     --       5     1   52       -222.56  3.43  P 32       
   470  ---  >47     --      38     1    5       -222.61  4.22  P 31       
   471  ---  >47     --      13    23    1       -222.67  5.34  P 32       
   472  ---  >47     --       5     1   53       -222.70  3.73  P 32       
   473  ---  >47     --       5    35    8       -222.72  4.15  P 32       
   474  ---  >47     --       5    13    8       -222.74  3.80  P 32       
   475  ---  >47     --       5    24    9       -222.75  4.25  P 32       
   476  ---  >47     --       5    13    9       -222.76  3.76  P 32       
   477  ---  >47     --      38     1    6       -222.78  4.57  P 31       
   478  ---  >47     --       5    24   10       -222.85  3.76  P 32       
   479  ---  >47     --       5    37    1       -222.93  4.00  P 32       
   480  ---  >47     --       5    17   10       -222.95  3.64  P 32       
   481  ---  >47     --       5    38    1       -222.97  4.60  P 32       
   482  ---  >47     --       5     1   54       -222.97  3.43  P 32       
   483  ---  >47     --       5     9    3       -223.03  4.07  P 32       
   484  ---  >47     --       5     7   18       -223.03  3.51  P 32       
   485  ---  >47     --       5    17   11       -223.04  4.27  P 32       
   486  ---  >47     --       5    11    7       -223.06  3.72  P 32       
   487  ---  >47     --       5    12   11       -223.07  3.94  P 32       
   488  ---  >47     --       5     1   55       -223.13  3.38  P 32       
   489  ---  >47     --       2     8    1       -223.13  4.73  P 32       
   490  ---  >47     --      38     1    7       -223.19  4.22  P 31       
   491  ---  >47     --      33     3    2       -223.21  4.55  P 31       
   492  ---  >47     --       5     7   19       -223.21  3.81  P 32       
   493  ---  >47     --       5    51    3       -223.24  4.30  P 32       
   494  ---  >47     --       5     1   56       -223.30  3.66  P 32       
   495  ---  >47     --       5     7   20       -223.31  3.52  P 32       
   496  ---  >47     --      33     5    1       -223.31  5.10  P 31       
   497  ---  >47     --       5    12   12       -223.35  4.17  P 32       
   498  ---  >47     --       5    48    6       -223.36  3.98  P 32       
   499  ---  >47     --       5    27    6       -223.47  3.91  P 32       
   500  ---  >47     --       5    13   10       -223.56  3.76  P 32       
   501  ---  >47     --       5    37    2       -223.57  4.18  P 32       
   502  ---  >47     --       5    10   18       -223.59  4.05  P 32       
   503  ---  >47     --       5    11    8       -223.67  4.36  P 32       
   504  ---  >47     --       5    39    3       -223.73  4.08  P 32       
   505  ---  >47     --       5    52    6       -223.78  4.04  P 32       
   506  ---  >47     --      38     2    2       -223.79  4.24  P 31       
   507  ---  >47     --      38     2    3       -223.82  4.32  P 31       
   508  ---  >47     --       5    26    7       -223.87  3.92  P 32       
   509  ---  >47     --       5    45    3       -223.89  4.20  P 32       
   510  ---  >47     --       5    17   12       -223.95  3.69  P 32       
   511  ---  >47     --       5    49    2       -223.98  4.11  P 32       
   512  ---  >47     --       5     1   57       -224.03  3.37  P 32       
   513  ---  >47     --       5     5   11       -224.06  3.72  P 32       
   514  ---  >47     --       5     5   12       -224.07  3.88  P 32       
   515  ---  >47     --       5    12   13       -224.10  4.03  P 32       
   516  ---  >47     --       5    53    2       -224.17  3.89  P 32       
   517  ---  >47     --       5    36    7       -224.18  4.07  P 32       
   518  ---  >47     --       5     3   16       -224.19  3.66  P 32       
   519  ---  >47     --       5     1   58       -224.23  3.25  P 32       
   520  ---  >47     --       5    26    8       -224.23  4.05  P 32       
   521  ---  >47     --       5    30   14       -224.24  4.09  P 32       
   522  ---  >47     --       2     4    4       -224.25  4.51  P 32       
   523  ---  >47     --       5    53    3       -224.32  4.16  P 32       
   524  ---  >47     --       5    21   11       -224.32  4.13  P 32       
   525  ---  >47     --       5    27    7       -224.39  3.81  P 32       
   526  ---  >47     --       5     1   59       -224.46  3.69  P 32       
   527  ---  >47     --       5    41    3       -224.51  4.11  P 32       
   528  ---  >47     --       5    19    4       -224.53  4.44  P 32       
   529  ---  >47     --       5     7   21       -224.55  3.49  P 32       
   530  ---  >47     --       5    30   15       -224.58  4.23  P 32       
   531  ---  >47     --       5    29   10       -224.62  3.87  P 32       
   532  ---  >47     --       5    41    4       -224.65  4.15  P 32       
   533  ---  >47     --       5    49    3       -224.67  4.39  P 32       
   534  ---  >47     --       5    21   12       -224.67  3.90  P 32       
   535  ---  >47     --       5    11    9       -224.69  3.94  P 32       
   536  ---  >47     --       5    44    3       -224.71  4.21  P 32       
   537  ---  >47     --       5    43    5       -224.73  4.27  P 32       
   538  ---  >47     --       5    34    4       -224.74  4.53  P 32       
   539  ---  >47     --       5    11   10       -224.84  3.79  P 32       
   540  ---  >47     --       5    33    5       -224.87  3.95  P 32       
   541  Top1  248    --      38    32    1       -306.85  9.00  P 31       
   542  2     167    --      20    25    1       -308.36 10.65  P 32       
   543  3     356    --      32    28    1       -314.28 10.71  P 32       
   544  4     247    --      38    32    2       -314.35  8.77  P 31       
   545  5     466    --      27     9    1       -317.97  9.29  P 32       
   546  6     500    --      25    19    1       -320.46  9.50  P 32       
   547  7     311    --      33    72    1       -326.22  9.00  P 31       
   548  8     465    --      27     9    2       -326.26  9.44  P 32       
   549  9     513    --      25    19    2       -328.57  9.13  P 32       
   550  10    383    --      31    15    1       -333.60  9.19  P 32       
   551  11    481    --      22     9    1       -337.15  8.50  P 32       
   552  12    321    --      33    72    2       -338.55  8.91  P 31       
   553  13    477    --      34     7    1       -338.93  9.01  P 32       
   554  14    394    --      35     3    1       -338.93  9.63  P 31       
   555  15    377    --      36    14    1       -342.83  8.37  P 31       
   556  16    463    --      13    51    1       -343.23  9.65  P 32       
   557  17    175    --      20    25    2       -344.51  9.73  P 32       
   558  18    377    --      31    15    2       -345.26  8.54  P 32       
   559  19    361    --      32    28    2       -346.49  9.93  P 32       
   560  20    387    --      35     3    2       -346.96  9.57  P 31       
   561  21    481    --      34     7    2       -348.29  9.14  P 32       
   562  22    491    --      21    29    1       -352.34  9.91  P 32       
   563  23    378    --      28    26    1       -352.63  9.02  P 31       
   564  24    381    --      36    14    2       -353.07  8.21  P 31       
   565  25    149    --      18    30    1       -353.46  8.16  P 31       
   566  26    318    --      15     7    1       -356.95  9.52  P 31       
   567  27    334    --      15     7    2       -358.21  9.21  P 31       
   568  28    597    --      37    27    1       -358.53 11.32  P 31       
   569  29    449    --      13    51    2       -358.61  9.63  P 32       
   570  30    470    --      14    15    1       -359.03  8.14  P 31       
   571  31    376    --      28    26    2       -360.21  8.92  P 31       
   572  32    360    --      17    11    1       -363.74  8.90  P 31       
   573  33    351    --      24    18    1       -365.09  9.15  P 32       
   574  34    483    --      14    15    2       -365.48  8.51  P 31       
   575  35    583    --      37    28    1       -365.50  8.78  P 31       
   576  36    590    --      37    27    2       -369.23 10.88  P 31       
   577  37    319    --      33    71    1       -369.96 10.40  P 31       
   578  38    336    --      17    11    2       -371.25  8.85  P 31       
   579  39    374    --      28    25    1       -371.92 10.84  P 31       
   580  40    252    --      38    31    1       -373.19 10.30  P 31       
   581  41    576    --      23     3    1       -373.77  8.28  P 31       
   582  42    602    --      37    28    2       -374.01  8.66  P 31       
   583  43    490    --      21    29    2       -374.65  9.77  P 32       
   584  44    379    --      29     3    1       -376.15  9.71  P 31       
   585  45    481    --      27     8    1       -377.44 10.28  P 32       
   586  46    412    --      16    19    1       -377.99  8.40  P 31       
   587  47    375    --      29     2    1       -378.51 11.49  P 31       
   588  48    320    --      33    71    2       -378.52 10.27  P 31       
   589  49    347    --      24    18    2       -378.57  8.96  P 32       
   590  50    373    --      29     3    2       -380.72  9.55  P 31       
   591  51    143    --      18    29    1       -381.94 11.17  P 31       
   592  52    375    --      28    25    2       -383.41 10.68  P 31       
   593  53    503    --      25    18    1       -384.19 10.39  P 32       
   594  54    572    --      23     2    1       -386.61 10.25  P 31       
   595  55    470    --      27     8    2       -387.22 10.09  P 32       
   596  56    498    --      19    53    1       -389.39 10.34  P 32       
   597  57    434    --      13    50    1       -390.02 10.64  P 32       
   598  58    359    --      32    27    1       -390.79 11.32  P 32       
   599  59    363    --      24    17    1       -391.10  9.63  P 32       
   600  60    505    --      19    53    2       -391.92 10.41  P 32       
   601  61    506    --      25    18    2       -393.31  9.64  P 32       
   602  62    351    --      17    10    1       -394.47  9.86  P 31       
   603  63    461    --      30     7    1       -394.83 10.86  P 32       
   604  64    243    --      38    31    2       -395.57 10.11  P 31       
   605  65    484    --      14    14    1       -395.83 10.74  P 31       
   606  66    365    --      24    17    2       -396.73  9.28  P 32       
   607  67    490    --      34     6    1       -396.88  9.93  P 32       
   608  68    357    --      32    27    2       -397.70 11.15  P 32       
   609  69    512    --      22     8    1       -397.94 10.51  P 32       
   610  70    146    --      18    29    2       -398.51 11.07  P 31       
   611  71    383    --      29     2    2       -398.93 10.72  P 31       
   612  72    357    --      17    10    2       -401.02 10.36  P 31       
   613  73    493    --      34     6    2       -401.03  9.71  P 32       
   614  74    278    --      26    14    1       -401.73 10.97  P 32       
   615  75    439    --      13    50    2       -401.78 10.32  P 32       
   616  76    428    --      16    19    2       -402.58  8.23  P 31       
   617  77    504    --      22     8    2       -403.15 10.44  P 32       
   618  78    449    --      30     7    2       -403.70 10.79  P 32       
   619  79    386    --      35     2    1       -406.71 10.37  P 31       
   620  80    584    --      23     2    2       -407.70  9.90  P 31       
   621  81    387    --      35     2    2       -407.98 10.47  P 31       
   622  82    391    --      31    14    1       -408.91 10.55  P 32       
   623  83    379    --      36    13    1       -409.11 10.05  P 31       
   624  84    265    --      26    14    2       -410.48 10.61  P 32       
   625  85    172    --      20    24    1       -415.83 10.68  P 32       
   626  86    162    --      20    24    2       -416.60 10.54  P 32       
   627  87    381    --      31    14    2       -417.11 10.31  P 32       
   628  88    317    --      15     6    1       -418.07 10.25  P 31       
   629  89    380    --      36    13    2       -420.84  9.72  P 31       
   630  90    419    --      16    18    1       -422.16 10.27  P 31       
   631  91    416    --      16    18    2       -425.79 10.40  P 31       
   632  92    331    --      15     6    2       -426.17 10.25  P 31       
   633  93    479    --      14    14    2       -426.70 10.03  P 31       

   0 accepted of 633 solutions
   93 solutions with high TFZ (of 633 solutions) carried despite failing packing

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 26 mins 12.81 secs (   1572.81 secs)
Finished: Thu Apr 21 18:04:19 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Current is best for this component
** New best solution has 6 components
** New best solution LLG = 4.2 (resolution = 4.73)
** New best solution component = ensemble1

CPU Time: 0 days 0 hrs 26 mins 12.81 secs (   1572.81 secs)
Finished: Thu Apr 21 18:04:19 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** There was only 1 possible ensemble for this component
** End of possible ensembles for this component

CPU Time: 0 days 0 hrs 26 mins 12.81 secs (   1572.81 secs)
Finished: Thu Apr 21 18:04:19 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Definite solutions found
** New best solution has 6 components
** New best solution overall
** New best solution LLG = 4.2
** New best solution TFZ = 11.5

CPU Time: 0 days 0 hrs 26 mins 12.82 secs (   1572.82 secs)
Finished: Thu Apr 21 18:04:19 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Solutions with high TFZ do not pack



CPU Time: 0 days 0 hrs 26 mins 12.82 secs (   1572.82 secs)
Finished: Thu Apr 21 18:04:19 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Solutions will be refined to highest resolution
** Protocol for MR refinement is DEFAULT
** VRMS (variances) of ensemble(s) WILL be refined

CPU Time: 0 days 0 hrs 26 mins 12.83 secs (   1572.83 secs)
Finished: Thu Apr 21 18:04:19 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT REFINEMENT AND PHASING             2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   2.72  34.48 (9072)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (9072)
                               - half number of centrics (0/2)
                             = -9072
   With correction for SigF,
      Wilson log(likelihood) = -7830.15

----------
ENSEMBLING
----------

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

----------
REFINEMENT
----------

   Protocol cycle #1 of 1
   Refinement protocol for this macrocycle:
   ROTATION      : REFINE
   TRANSLATION   : REFINE
   BFACTOR       : REFINE
   MODEL VRMS    : REFINE
   MAP CELL SCALE: FIX
   MAP OFACTOR   : FIX
   LAST ONLY     : FALSE

   There are 93 solutions to refine
   Spreading calculation onto 2 threads.
   Refining solutions
   0%                                              100%
   |================================================| DONE


   REFINING SET #1 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC  0.26 -0.02  0.09 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC  0.26  0.48  0.09 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -575.941               169.521               745.462

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  274.7  105.6  134.4 FRAC  0.13  0.04  0.00 BFAC
    -12.59
   SOLU 6DIM ENSE ensemble1 EULER  275.5  108.6  141.9 FRAC  0.13  0.54 -0.01 BFAC
    -12.59
   SOLU 6DIM ENSE ensemble1 EULER  187.7  135.1  356.0 FRAC -0.23 -0.01  0.09 BFAC
    13.61
   SOLU 6DIM ENSE ensemble1 EULER  188.5  135.2  359.2 FRAC -0.24  0.48  0.09 BFAC
    13.61
   SOLU 6DIM ENSE ensemble1 EULER  189.9  134.4  359.0 FRAC  0.27 -0.02  0.09 BFAC
    18.27
   SOLU 6DIM ENSE ensemble1 EULER  187.7  135.3  356.4 FRAC  0.27  0.48  0.09 BFAC
    18.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3925 RMSD  0.36 #VRMS  1.23

   REFINING SET #2 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC  0.26  1.20 -0.11 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC  0.26  0.70 -0.12 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 21 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -571.435               174.166               745.601

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  274.5  106.1  140.4 FRAC  0.11  0.69 -0.00 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.2  141.1 FRAC  0.12  1.20 -0.01 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER   33.1   85.5   52.2 FRAC -0.24  0.70 -0.11 BFAC
    13.10
   SOLU 6DIM ENSE ensemble1 EULER   33.2   85.7   51.8 FRAC -0.24  1.20 -0.11 BFAC
    13.10
   SOLU 6DIM ENSE ensemble1 EULER   34.0   83.7   50.0 FRAC  0.26  1.20 -0.11 BFAC
    22.66
   SOLU 6DIM ENSE ensemble1 EULER   34.9   87.7   48.0 FRAC  0.27  0.71 -0.11 BFAC
    22.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3605 RMSD  0.36 #VRMS  1.22

   REFINING SET #3 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC  0.16  1.11  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC  0.16  0.61  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 44 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -565.418               172.214               737.632

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  103.9  136.1 FRAC  0.11  0.69 -0.00 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.6  141.6 FRAC  0.13  1.20 -0.01 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER   35.2   87.8   39.8 FRAC -0.35  0.62  0.07 BFAC
    15.27
   SOLU 6DIM ENSE ensemble1 EULER   33.5   88.1   40.4 FRAC -0.34  1.12  0.07 BFAC
    15.27
   SOLU 6DIM ENSE ensemble1 EULER   33.9   90.1   39.1 FRAC  0.15  1.11  0.08 BFAC
    18.40
   SOLU 6DIM ENSE ensemble1 EULER   34.5   87.1   38.7 FRAC  0.16  0.62  0.07 BFAC
    18.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3266 RMSD  0.36 #VRMS  1.21

   REFINING SET #4 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC  0.26  0.48  0.10 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC  0.26 -0.02  0.09 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -557.745               170.201               727.946

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  106.5  136.0 FRAC  0.15  0.07  0.00 BFAC
    -12.80
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.8  138.9 FRAC  0.15  0.56 -0.01 BFAC
    -12.80
   SOLU 6DIM ENSE ensemble1 EULER  193.8  130.3  353.4 FRAC -0.24 -0.01  0.09 BFAC
    13.86
   SOLU 6DIM ENSE ensemble1 EULER  193.1  127.2  353.8 FRAC -0.25  0.48  0.09 BFAC
    13.86
   SOLU 6DIM ENSE ensemble1 EULER  196.1  126.1  359.0 FRAC  0.25  0.48  0.09 BFAC
    19.68
   SOLU 6DIM ENSE ensemble1 EULER  196.0  128.9  356.1 FRAC  0.25 -0.03  0.09 BFAC
    19.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3647 RMSD  0.36 #VRMS  1.22

   REFINING SET #5 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC  0.21  0.73 -0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC  0.21  1.23 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 40 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -531.844               172.849               704.693

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.5  136.0 FRAC  0.12  0.69 -0.00 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER  273.6  107.1  140.0 FRAC  0.13  1.19 -0.01 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER   35.2   76.4   48.3 FRAC -0.28  0.72 -0.00 BFAC
    16.62
   SOLU 6DIM ENSE ensemble1 EULER   34.6   76.2   47.2 FRAC -0.28  0.22 -0.00 BFAC
    16.62
   SOLU 6DIM ENSE ensemble1 EULER   35.3   76.6   45.4 FRAC  0.21  0.73  0.00 BFAC
    19.93
   SOLU 6DIM ENSE ensemble1 EULER   37.0   77.3   45.5 FRAC  0.22  1.23  0.00 BFAC
    19.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3805 RMSD  0.36 #VRMS  1.23

   REFINING SET #6 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC  0.19  1.21 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC  0.19  0.71 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 47 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -529.284               187.455               716.739

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  103.9  136.7 FRAC  0.11  0.69  0.00 BFAC
    -12.80
   SOLU 6DIM ENSE ensemble1 EULER  273.2  106.9  139.7 FRAC  0.13  1.20 -0.00 BFAC
    -12.80
   SOLU 6DIM ENSE ensemble1 EULER   31.0   87.8   50.9 FRAC -0.30  0.71 -0.01 BFAC
    14.96
   SOLU 6DIM ENSE ensemble1 EULER   30.1   87.9   50.1 FRAC -0.31  0.21 -0.01 BFAC
    14.96
   SOLU 6DIM ENSE ensemble1 EULER   32.6   90.7   54.2 FRAC  0.19  1.20 -0.02 BFAC
    18.24
   SOLU 6DIM ENSE ensemble1 EULER   30.8   90.1   52.2 FRAC  0.20  0.71 -0.01 BFAC
    18.24
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3227 RMSD  0.36 #VRMS  1.21

   REFINING SET #7 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC  0.13  0.09  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC  0.13  0.60  0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -581.983               168.664               750.647

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.2  139.6 FRAC  0.09  0.21 -0.00 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER  271.5  107.7  141.0 FRAC  0.11  0.71 -0.01 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER   26.5   98.3  232.5 FRAC -0.36  0.11  0.08 BFAC
    12.74
   SOLU 6DIM ENSE ensemble1 EULER  266.4   96.6  230.9 FRAC -0.02  0.37 -0.25 BFAC
    12.74
   SOLU 6DIM ENSE ensemble1 EULER   23.1   96.1  230.3 FRAC  0.13  0.11  0.08 BFAC
    19.69
   SOLU 6DIM ENSE ensemble1 EULER   23.2   94.8  229.3 FRAC  0.13  0.62  0.08 BFAC
    19.69
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3465 RMSD  0.36 #VRMS  1.22

   REFINING SET #8 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC  0.21  1.23 -0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC  0.21  0.73 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 47 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -542.295               166.355               708.650

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.6  106.6  139.2 FRAC  0.11  0.69 -0.00 BFAC
    -12.47
   SOLU 6DIM ENSE ensemble1 EULER  272.2  105.3  138.4 FRAC  0.13  1.20 -0.01 BFAC
    -12.47
   SOLU 6DIM ENSE ensemble1 EULER   34.4   78.7   47.6 FRAC -0.28  0.72 -0.01 BFAC
    12.82
   SOLU 6DIM ENSE ensemble1 EULER   36.0   77.3   46.6 FRAC -0.29  0.22 -0.01 BFAC
    12.82
   SOLU 6DIM ENSE ensemble1 EULER   37.5   78.7   45.9 FRAC  0.22  1.23 -0.01 BFAC
    18.42
   SOLU 6DIM ENSE ensemble1 EULER   35.4   81.2   46.6 FRAC  0.22  0.73 -0.01 BFAC
    18.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4528 RMSD  0.36 #VRMS  1.26

   REFINING SET #9 OF 93
   ---------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC  0.19  0.71 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC  0.19  1.21 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 43 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -515.510               187.317               702.827

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  103.8  136.6 FRAC  0.12  0.69  0.00 BFAC
    -12.98
   SOLU 6DIM ENSE ensemble1 EULER  273.2  106.8  139.6 FRAC  0.13  1.20 -0.01 BFAC
    -12.98
   SOLU 6DIM ENSE ensemble1 EULER   30.8   87.9   51.2 FRAC -0.30  0.71 -0.01 BFAC
    15.48
   SOLU 6DIM ENSE ensemble1 EULER   30.1   88.7   50.5 FRAC -0.31  0.21 -0.01 BFAC
    15.48
   SOLU 6DIM ENSE ensemble1 EULER   30.6   90.4   52.5 FRAC  0.20  0.71 -0.01 BFAC
    19.07
   SOLU 6DIM ENSE ensemble1 EULER   32.2   90.9   54.5 FRAC  0.19  1.21 -0.02 BFAC
    19.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3165 RMSD  0.36 #VRMS  1.20

   REFINING SET #10 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC -0.01  0.86 -0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC -0.01  0.36 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 46 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -581.436               182.979               764.415

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.4  107.0  139.9 FRAC  0.05  0.26 -0.00 BFAC
    -12.85
   SOLU 6DIM ENSE ensemble1 EULER  271.0  105.7  138.5 FRAC  0.05  0.76 -0.01 BFAC
    -12.85
   SOLU 6DIM ENSE ensemble1 EULER   40.1   78.3   48.2 FRAC  0.46  0.36 -0.02 BFAC
    16.10
   SOLU 6DIM ENSE ensemble1 EULER   41.2   76.7   46.6 FRAC  0.46  0.86 -0.02 BFAC
    16.10
   SOLU 6DIM ENSE ensemble1 EULER   41.5   75.8   44.8 FRAC -0.04  0.87 -0.01 BFAC
    17.30
   SOLU 6DIM ENSE ensemble1 EULER   42.1   80.4   48.0 FRAC -0.04  0.37 -0.02 BFAC
    17.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3648 RMSD  0.36 #VRMS  1.22

   REFINING SET #11 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.63  0.79  0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   28.1   86.1   49.2 FRAC -0.37  0.28 -0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.13  0.78  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.13  0.28 -0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -600.012               165.792               765.804

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  274.0  108.2  140.1 FRAC  0.05  0.26  0.00 BFAC
    -12.63
   SOLU 6DIM ENSE ensemble1 EULER  272.2  104.7  134.6 FRAC  0.05  0.76 -0.01 BFAC
    -12.63
   SOLU 6DIM ENSE ensemble1 EULER   33.4   82.1   47.9 FRAC  0.63  0.78 -0.01 BFAC
    12.84
   SOLU 6DIM ENSE ensemble1 EULER   33.5   85.0   48.8 FRAC -0.36  0.28 -0.01 BFAC
    12.84
   SOLU 6DIM ENSE ensemble1 EULER   36.0   85.6   47.9 FRAC  0.14  0.79 -0.00 BFAC
    19.78
   SOLU 6DIM ENSE ensemble1 EULER   32.3   86.5   47.4 FRAC  0.14  0.29 -0.01 BFAC
    19.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3710 RMSD  0.36 #VRMS  1.23

   REFINING SET #12 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC  0.13  0.60  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC  0.13  0.10  0.07 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 48 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -603.532               170.222               773.754

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.6  104.9  137.7 FRAC  0.10  0.20  0.00 BFAC
    -14.10
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.1  139.7 FRAC  0.11  0.70 -0.00 BFAC
    -14.10
   SOLU 6DIM ENSE ensemble1 EULER   26.8   88.0  238.7 FRAC -0.37  0.10  0.06 BFAC
    19.76
   SOLU 6DIM ENSE ensemble1 EULER  266.0   89.4  235.4 FRAC -0.01  0.38 -0.27 BFAC
    19.76
   SOLU 6DIM ENSE ensemble1 EULER   26.7   86.8  236.7 FRAC  0.12  0.61  0.06 BFAC
    25.83
   SOLU 6DIM ENSE ensemble1 EULER   26.1   87.1  237.3 FRAC  0.12  0.11  0.06 BFAC
    25.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2665 RMSD  0.36 #VRMS  1.18

   REFINING SET #13 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC  0.16  0.60 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC  0.16  1.10 -0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 32 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -660.851               155.628               816.479

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  104.2  135.8 FRAC  0.12  0.70  0.00 BFAC
    -13.00
   SOLU 6DIM ENSE ensemble1 EULER  273.5  107.9  141.8 FRAC  0.13  1.20 -0.01 BFAC
    -13.00
   SOLU 6DIM ENSE ensemble1 EULER  357.0  157.6    3.0 FRAC -0.35  0.61 -0.04 BFAC
    15.50
   SOLU 6DIM ENSE ensemble1 EULER  357.3  158.2    3.4 FRAC -0.36  1.10 -0.04 BFAC
    15.50
   SOLU 6DIM ENSE ensemble1 EULER  354.8  157.5    1.6 FRAC  0.14  0.60 -0.04 BFAC
    19.19
   SOLU 6DIM ENSE ensemble1 EULER    2.7  158.4    8.6 FRAC  0.14  1.10 -0.04 BFAC
    19.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3786 RMSD  0.36 #VRMS  1.23

   REFINING SET #14 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC -0.02  0.22  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC -0.02  0.72  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -601.701               141.129               742.830

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.9  105.0  137.7 FRAC  0.09  0.20  0.00 BFAC
    -12.84
   SOLU 6DIM ENSE ensemble1 EULER  273.2  109.3  140.9 FRAC  0.11  0.70 -0.01 BFAC
    -12.84
   SOLU 6DIM ENSE ensemble1 EULER  182.6  128.4  345.0 FRAC  0.48  0.22  0.04 BFAC
    11.33
   SOLU 6DIM ENSE ensemble1 EULER  184.2  129.2  345.2 FRAC  0.48  0.71  0.04 BFAC
    11.33
   SOLU 6DIM ENSE ensemble1 EULER  180.1  128.3  344.1 FRAC -0.02  0.22  0.04 BFAC
    25.43
   SOLU 6DIM ENSE ensemble1 EULER  179.9  132.1  343.1 FRAC -0.02  0.72  0.04 BFAC
    25.43
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3809 RMSD  0.36 #VRMS  1.23

   REFINING SET #15 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC  0.13  0.60 -0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC  0.13  0.10 -0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 35 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -594.323               147.906               742.229

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.4  105.7  138.4 FRAC  0.10  0.20 -0.00 BFAC
    -13.20
   SOLU 6DIM ENSE ensemble1 EULER  270.9  108.7  140.6 FRAC  0.11  0.71 -0.01 BFAC
    -13.20
   SOLU 6DIM ENSE ensemble1 EULER  196.5  124.6  348.3 FRAC -0.38  0.09 -0.05 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER  194.7  125.5  347.5 FRAC -0.38  0.59 -0.05 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER  197.8  123.5  347.7 FRAC  0.12  0.58 -0.05 BFAC
    21.65
   SOLU 6DIM ENSE ensemble1 EULER  197.7  123.4  345.6 FRAC  0.11  0.07 -0.05 BFAC
    21.65
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3973 RMSD  0.36 #VRMS  1.24

   REFINING SET #16 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC  0.16  0.87 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC  0.16  0.37 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 28 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -607.827               152.626               760.453

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.7  108.2  140.3 FRAC  0.11  0.46  0.00 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.3  137.9 FRAC  0.11  0.96 -0.01 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER    2.6  158.6    7.6 FRAC -0.34  0.37 -0.03 BFAC
    14.96
   SOLU 6DIM ENSE ensemble1 EULER  356.9  160.9  359.9 FRAC -0.34  0.87 -0.03 BFAC
    14.96
   SOLU 6DIM ENSE ensemble1 EULER  353.1  160.9  354.6 FRAC  0.15  0.86 -0.03 BFAC
    22.30
   SOLU 6DIM ENSE ensemble1 EULER  356.8  160.5  356.0 FRAC  0.16  0.36 -0.03 BFAC
    22.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4094 RMSD  0.36 #VRMS  1.24

   REFINING SET #17 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC  0.26  0.70 -0.11 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC  0.26  1.20 -0.12 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 38 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -621.824               171.978               793.802

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  103.9  136.9 FRAC  0.11  0.69 -0.00 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER  272.1  107.1  141.7 FRAC  0.13  1.20 -0.01 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER   31.3   87.4   51.6 FRAC -0.24  0.70 -0.12 BFAC
    13.11
   SOLU 6DIM ENSE ensemble1 EULER   31.7   86.8   52.0 FRAC -0.23  1.21 -0.12 BFAC
    13.11
   SOLU 6DIM ENSE ensemble1 EULER   32.2   87.4   49.3 FRAC  0.27  0.71 -0.12 BFAC
    21.63
   SOLU 6DIM ENSE ensemble1 EULER   31.2   86.2   49.7 FRAC  0.26  1.20 -0.11 BFAC
    21.63
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3683 RMSD  0.36 #VRMS  1.22

   REFINING SET #18 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC -0.01  0.36 -0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC -0.01  0.87 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 49 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -517.820               161.982               679.803

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.1  108.3  138.6 FRAC  0.07  0.26 -0.00 BFAC
    -13.63
   SOLU 6DIM ENSE ensemble1 EULER  271.4  106.5  138.0 FRAC  0.07  0.76 -0.01 BFAC
    -13.63
   SOLU 6DIM ENSE ensemble1 EULER   44.1   77.8   48.1 FRAC  0.48  0.36 -0.02 BFAC
    14.22
   SOLU 6DIM ENSE ensemble1 EULER   43.8   77.6   48.5 FRAC  0.49  0.86 -0.02 BFAC
    14.22
   SOLU 6DIM ENSE ensemble1 EULER   45.1   79.5   48.9 FRAC -0.01  0.37 -0.02 BFAC
    29.44
   SOLU 6DIM ENSE ensemble1 EULER   45.9   77.2   47.5 FRAC -0.01  0.87 -0.01 BFAC
    29.44
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3330 RMSD  0.36 #VRMS  1.21

   REFINING SET #19 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC  0.16  0.61  0.07 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC  0.16  1.11  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 45 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -615.363               168.098               783.460

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  103.7  136.8 FRAC  0.11  0.69  0.00 BFAC
    -12.71
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.4  142.0 FRAC  0.13  1.20 -0.00 BFAC
    -12.71
   SOLU 6DIM ENSE ensemble1 EULER   31.6   89.4   46.2 FRAC -0.32  0.61  0.06 BFAC
    11.24
   SOLU 6DIM ENSE ensemble1 EULER   31.7   89.4   46.6 FRAC -0.32  1.11  0.05 BFAC
    11.24
   SOLU 6DIM ENSE ensemble1 EULER   29.8   91.3   44.6 FRAC  0.18  0.60  0.05 BFAC
    23.72
   SOLU 6DIM ENSE ensemble1 EULER   33.2   90.9   44.5 FRAC  0.19  1.11  0.06 BFAC
    23.72
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3360 RMSD  0.36 #VRMS  1.21

   REFINING SET #20 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC -0.02  0.72  0.04 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC -0.02  0.22  0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 35 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -608.395               150.571               758.966

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.2  105.4  137.9 FRAC  0.10  0.20  0.00 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER  273.1  109.2  140.9 FRAC  0.11  0.71 -0.01 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER  182.6  126.5  344.2 FRAC  0.49  0.22  0.03 BFAC
    14.24
   SOLU 6DIM ENSE ensemble1 EULER  185.0  127.7  344.2 FRAC  0.48  0.72  0.03 BFAC
    14.24
   SOLU 6DIM ENSE ensemble1 EULER  179.8  126.4  340.5 FRAC -0.02  0.72  0.02 BFAC
    17.51
   SOLU 6DIM ENSE ensemble1 EULER  178.4  127.7  340.7 FRAC -0.01  0.22  0.03 BFAC
    17.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4446 RMSD  0.36 #VRMS  1.26

   REFINING SET #21 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC  0.16  1.11 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC  0.16  0.61 -0.04 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 37 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -647.251               153.984               801.234

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  104.0  134.4 FRAC  0.12  0.70  0.00 BFAC
    -13.17
   SOLU 6DIM ENSE ensemble1 EULER  274.1  107.6  141.5 FRAC  0.13  1.20 -0.01 BFAC
    -13.17
   SOLU 6DIM ENSE ensemble1 EULER    0.0  156.4    7.6 FRAC -0.35  0.60 -0.04 BFAC
    14.51
   SOLU 6DIM ENSE ensemble1 EULER  359.6  157.7    6.8 FRAC -0.36  1.10 -0.04 BFAC
    14.51
   SOLU 6DIM ENSE ensemble1 EULER    3.2  158.1   10.4 FRAC  0.14  1.10 -0.04 BFAC
    22.40
   SOLU 6DIM ENSE ensemble1 EULER  355.6  156.9    2.9 FRAC  0.14  0.59 -0.04 BFAC
    22.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3760 RMSD  0.36 #VRMS  1.23

   REFINING SET #22 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   27.4   85.4   46.9 FRAC -0.21  0.12 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER   29.9   85.4   48.4 FRAC -0.21 -0.38 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC -0.28  0.09  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC -0.28 -0.41 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -741.415               215.958               957.373

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.8  138.1 FRAC  0.22  0.09 -0.00 BFAC
    -10.09
   SOLU 6DIM ENSE ensemble1 EULER  271.7  107.9  142.2 FRAC  0.23  0.59 -0.01 BFAC
    -10.09
   SOLU 6DIM ENSE ensemble1 EULER   27.6   89.1   34.4 FRAC -0.19  0.17 -0.00 BFAC
    26.76
   SOLU 6DIM ENSE ensemble1 EULER   26.2   94.6   29.6 FRAC -0.21 -0.35  0.00 BFAC
    26.76
   SOLU 6DIM ENSE ensemble1 EULER  269.2  107.9  139.4 FRAC -0.28  0.11  0.01 BFAC 
    1.73
   SOLU 6DIM ENSE ensemble1 EULER  271.3  104.9  140.6 FRAC -0.27 -0.40 -0.00 BFAC 
    1.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3935 RMSD  0.36 #VRMS  1.23

   REFINING SET #23 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC  0.35  0.41 -0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC  0.36  0.91 -0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -636.484               172.363               808.848

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.1  104.3  134.9 FRAC  0.33  0.52 -0.00 BFAC
    -13.16
   SOLU 6DIM ENSE ensemble1 EULER  273.3  107.7  140.1 FRAC  0.33  1.03 -0.01 BFAC
    -13.16
   SOLU 6DIM ENSE ensemble1 EULER  196.0  130.9  351.2 FRAC -0.14  0.41 -0.04 BFAC
    15.52
   SOLU 6DIM ENSE ensemble1 EULER  193.6  133.1  349.0 FRAC -0.14  0.92 -0.05 BFAC
    15.52
   SOLU 6DIM ENSE ensemble1 EULER  196.0  132.2  348.6 FRAC  0.35  0.41 -0.04 BFAC
    20.67
   SOLU 6DIM ENSE ensemble1 EULER  200.6  132.2  350.2 FRAC  0.35  0.91 -0.04 BFAC
    20.67
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3404 RMSD  0.36 #VRMS  1.21

   REFINING SET #24 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC  0.13  0.10 -0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC  0.13  0.60 -0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -585.717               146.085               731.802

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  269.7  104.0  134.2 FRAC  0.09  0.19  0.00 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER  270.6  108.0  141.2 FRAC  0.12  0.70 -0.01 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER  193.3  122.9  345.9 FRAC -0.37  0.09 -0.06 BFAC
    15.73
   SOLU 6DIM ENSE ensemble1 EULER  192.7  123.4  345.1 FRAC -0.37  0.59 -0.06 BFAC
    15.73
   SOLU 6DIM ENSE ensemble1 EULER  192.2  120.4  344.4 FRAC  0.13  0.09 -0.05 BFAC
    18.65
   SOLU 6DIM ENSE ensemble1 EULER  195.5  121.7  345.4 FRAC  0.13  0.59 -0.06 BFAC
    18.65
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4184 RMSD  0.36 #VRMS  1.24

   REFINING SET #25 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC -0.35 -0.03 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   18.0  105.0  219.3 FRAC -0.35  0.47 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER  136.6  104.4  217.6 FRAC  0.04  0.19  0.25 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC  0.16  0.47 -0.09 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -517.805               161.473               679.278

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.9  107.0  140.4 FRAC  0.09  0.20  0.00 BFAC
    -12.62
   SOLU 6DIM ENSE ensemble1 EULER  270.9  105.6  138.9 FRAC  0.10  0.71 -0.01 BFAC
    -12.62
   SOLU 6DIM ENSE ensemble1 EULER   19.8  102.6  219.0 FRAC -0.35 -0.02 -0.08 BFAC
    13.67
   SOLU 6DIM ENSE ensemble1 EULER   17.9  103.1  217.9 FRAC -0.34  0.48 -0.09 BFAC
    13.67
   SOLU 6DIM ENSE ensemble1 EULER  137.2  105.2  218.2 FRAC  0.04  0.19  0.25 BFAC
    18.48
   SOLU 6DIM ENSE ensemble1 EULER   20.3  101.7  219.6 FRAC  0.16  0.47 -0.09 BFAC
    18.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3689 RMSD  0.36 #VRMS  1.22

   REFINING SET #26 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC  0.24  0.21  0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC  0.24  0.71  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 27 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -563.829               174.287               738.116

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.3  139.1 FRAC  0.09  0.20 -0.00 BFAC
    -13.28
   SOLU 6DIM ENSE ensemble1 EULER  272.2  107.0  139.3 FRAC  0.11  0.71 -0.01 BFAC
    -13.28
   SOLU 6DIM ENSE ensemble1 EULER  209.2  111.5  246.1 FRAC -0.25  0.21  0.06 BFAC
    17.38
   SOLU 6DIM ENSE ensemble1 EULER   89.2  111.3  247.2 FRAC -0.03  0.25 -0.27 BFAC
    17.38
   SOLU 6DIM ENSE ensemble1 EULER  207.4  112.1  243.1 FRAC  0.25  0.22  0.06 BFAC
    19.41
   SOLU 6DIM ENSE ensemble1 EULER  210.2  111.7  242.9 FRAC  0.26  0.72  0.06 BFAC
    19.41
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3772 RMSD  0.36 #VRMS  1.23

   REFINING SET #27 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC  0.24  0.71  0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC  0.24  0.21  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 25 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -555.591               174.581               730.172

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  138.7 FRAC  0.09  0.20 -0.00 BFAC
    -13.24
   SOLU 6DIM ENSE ensemble1 EULER  272.1  107.2  139.5 FRAC  0.11  0.71 -0.01 BFAC
    -13.24
   SOLU 6DIM ENSE ensemble1 EULER  209.4  111.3  246.3 FRAC -0.25  0.21  0.06 BFAC
    16.71
   SOLU 6DIM ENSE ensemble1 EULER   89.2  110.6  247.7 FRAC -0.03  0.25 -0.27 BFAC
    16.71
   SOLU 6DIM ENSE ensemble1 EULER  210.1  111.7  242.8 FRAC  0.26  0.71  0.06 BFAC
    19.90
   SOLU 6DIM ENSE ensemble1 EULER  207.5  112.0  243.3 FRAC  0.25  0.21  0.07 BFAC
    19.90
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3834 RMSD  0.36 #VRMS  1.23

   REFINING SET #28 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -725.825               153.429               879.254

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  269.0   96.4  128.9 FRAC  0.12  0.20  0.02 BFAC
    -0.38
   SOLU 6DIM ENSE ensemble1 EULER  269.9  110.9  139.8 FRAC  0.10  0.70 -0.01 BFAC
    -0.38
   SOLU 6DIM ENSE ensemble1 EULER   13.5  104.4  213.6 FRAC -0.45  0.15  0.03 BFAC
    23.94
   SOLU 6DIM ENSE ensemble1 EULER  252.7  108.4  211.8 FRAC  0.11  0.46 -0.31 BFAC
    23.94
   SOLU 6DIM ENSE ensemble1 EULER  271.3  112.6  141.6 FRAC -0.40  0.20 -0.02 BFAC
    -8.75
   SOLU 6DIM ENSE ensemble1 EULER  151.3  108.8  138.3 FRAC  0.10  0.41 -0.35 BFAC
    -8.75
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4378 RMSD  0.36 #VRMS  1.25

   REFINING SET #29 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC  0.16  0.37 -0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC  0.16  0.87 -0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 44 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -661.773               153.679               815.452

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.0  139.4 FRAC  0.11  0.46  0.00 BFAC
    -12.93
   SOLU 6DIM ENSE ensemble1 EULER  271.8  105.3  138.0 FRAC  0.11  0.97 -0.01 BFAC
    -12.93
   SOLU 6DIM ENSE ensemble1 EULER    1.6  158.0    7.6 FRAC -0.34  0.37 -0.03 BFAC
    14.65
   SOLU 6DIM ENSE ensemble1 EULER  355.7  161.2  358.9 FRAC -0.34  0.87 -0.03 BFAC
    14.65
   SOLU 6DIM ENSE ensemble1 EULER  356.8  159.7  356.6 FRAC  0.15  0.36 -0.03 BFAC
    19.76
   SOLU 6DIM ENSE ensemble1 EULER  352.9  160.6  354.5 FRAC  0.15  0.86 -0.03 BFAC
    19.76
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4332 RMSD  0.36 #VRMS  1.25

   REFINING SET #30 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.18  0.24  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.18  0.74 -0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -615.377               165.282               780.659

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.1  105.3  138.2 FRAC  0.09  0.21  0.00 BFAC
    -12.90
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.6  139.1 FRAC  0.10  0.72 -0.01 BFAC
    -12.90
   SOLU 6DIM ENSE ensemble1 EULER   27.9   84.1   47.1 FRAC  0.69  0.75  0.01 BFAC
    17.19
   SOLU 6DIM ENSE ensemble1 EULER   27.1   86.0   48.7 FRAC -0.32  0.25 -0.00 BFAC
    17.19
   SOLU 6DIM ENSE ensemble1 EULER   27.3   87.8   45.4 FRAC  0.20  0.25  0.01 BFAC
    16.58
   SOLU 6DIM ENSE ensemble1 EULER   29.1   84.6   45.8 FRAC  0.19  0.75  0.00 BFAC
    16.58
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3958 RMSD  0.36 #VRMS  1.24

   REFINING SET #31 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC  0.36  0.91 -0.05 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC  0.36  0.41 -0.05 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 24 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -591.773               172.665               764.438

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  104.2  135.9 FRAC  0.33  0.52 -0.00 BFAC
    -13.16
   SOLU 6DIM ENSE ensemble1 EULER  273.4  107.9  140.5 FRAC  0.33  1.02 -0.01 BFAC
    -13.16
   SOLU 6DIM ENSE ensemble1 EULER  196.3  130.9  351.3 FRAC -0.14  0.41 -0.04 BFAC
    15.40
   SOLU 6DIM ENSE ensemble1 EULER  194.0  133.0  349.2 FRAC -0.14  0.92 -0.05 BFAC
    15.40
   SOLU 6DIM ENSE ensemble1 EULER  200.7  132.2  350.2 FRAC  0.35  0.91 -0.04 BFAC
    20.86
   SOLU 6DIM ENSE ensemble1 EULER  196.4  132.3  348.9 FRAC  0.35  0.41 -0.04 BFAC
    20.86
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3343 RMSD  0.36 #VRMS  1.21

   REFINING SET #32 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC -0.21  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC -0.22  0.15 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.29  0.65 -0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.29  1.15 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 27 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -567.761               169.472               737.233

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  269.9  103.8  134.9 FRAC  0.33  0.52 -0.00 BFAC
    -13.22
   SOLU 6DIM ENSE ensemble1 EULER  272.0  105.4  138.4 FRAC  0.33  1.02 -0.01 BFAC
    -13.22
   SOLU 6DIM ENSE ensemble1 EULER  189.8  130.4  344.0 FRAC -0.21  0.66 -0.02 BFAC
    16.70
   SOLU 6DIM ENSE ensemble1 EULER  187.1  133.0  344.5 FRAC -0.21  0.15 -0.02 BFAC
    16.70
   SOLU 6DIM ENSE ensemble1 EULER  190.8  131.4  343.0 FRAC  0.29  0.64 -0.01 BFAC
    19.70
   SOLU 6DIM ENSE ensemble1 EULER  192.3  133.0  344.7 FRAC  0.29  1.15 -0.01 BFAC
    19.70
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3077 RMSD  0.36 #VRMS  1.20

   REFINING SET #33 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC  0.01  1.21 -0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC  0.02  0.71 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 27 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -605.432               167.306               772.737

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  104.1  136.1 FRAC  0.04  0.57 -0.00 BFAC
    -12.91
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.4  138.8 FRAC  0.04  1.07 -0.01 BFAC
    -12.91
   SOLU 6DIM ENSE ensemble1 EULER  186.5  129.6  344.6 FRAC -0.49  0.70 -0.01 BFAC
    15.66
   SOLU 6DIM ENSE ensemble1 EULER  186.7  129.4  344.5 FRAC -0.48  0.21 -0.01 BFAC
    15.66
   SOLU 6DIM ENSE ensemble1 EULER  187.8  128.1  343.2 FRAC  0.02  1.20 -0.00 BFAC
    18.25
   SOLU 6DIM ENSE ensemble1 EULER  187.7  129.9  342.8 FRAC  0.02  0.70 -0.01 BFAC
    18.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3981 RMSD  0.36 #VRMS  1.24

   REFINING SET #34 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.18  0.74  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.18  0.24 -0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -660.628               145.258               805.886

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  281.7  106.7  139.7 FRAC  0.04  0.20 -0.00 BFAC
    -10.97
   SOLU 6DIM ENSE ensemble1 EULER  259.7  104.9  136.5 FRAC  0.15  0.72 -0.01 BFAC
    -10.97
   SOLU 6DIM ENSE ensemble1 EULER   30.0   91.0   49.4 FRAC  0.69  0.76 -0.00 BFAC
    12.38
   SOLU 6DIM ENSE ensemble1 EULER   29.7   90.2   51.8 FRAC -0.32  0.26 -0.00 BFAC
    12.38
   SOLU 6DIM ENSE ensemble1 EULER   30.5   89.9   48.0 FRAC  0.18  0.75  0.00 BFAC
    10.31
   SOLU 6DIM ENSE ensemble1 EULER   31.8   91.0   49.2 FRAC  0.18  0.26 -0.00 BFAC
    10.31
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.5209 RMSD  0.36 #VRMS  1.29

   REFINING SET #35 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC  0.05  0.65  0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC  0.05  0.15  0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -575.875               159.592               735.467

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.8  105.0  137.8 FRAC  0.10  0.20 -0.00 BFAC
    -13.56
   SOLU 6DIM ENSE ensemble1 EULER  272.6  108.4  140.2 FRAC  0.11  0.70 -0.01 BFAC
    -13.56
   SOLU 6DIM ENSE ensemble1 EULER   14.9  103.1  226.2 FRAC -0.44  0.17  0.02 BFAC
    15.23
   SOLU 6DIM ENSE ensemble1 EULER  252.4  102.1  224.6 FRAC  0.11  0.44 -0.31 BFAC
    15.23
   SOLU 6DIM ENSE ensemble1 EULER   12.0  101.1  225.1 FRAC  0.06  0.68  0.02 BFAC
    25.93
   SOLU 6DIM ENSE ensemble1 EULER   10.5  101.9  226.4 FRAC  0.06  0.18  0.02 BFAC
    25.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3362 RMSD  0.36 #VRMS  1.21

   REFINING SET #36 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.33 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 28 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -788.583               214.783              1003.366

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.2  138.6 FRAC  0.10  0.20  0.00 BFAC
    -9.21
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.2  138.1 FRAC  0.10  0.70 -0.01 BFAC
    -9.21
   SOLU 6DIM ENSE ensemble1 EULER   16.7  105.3  222.5 FRAC -0.45  0.17  0.02 BFAC
    25.15
   SOLU 6DIM ENSE ensemble1 EULER  257.3  103.5  223.4 FRAC  0.12  0.45 -0.32 BFAC
    25.15
   SOLU 6DIM ENSE ensemble1 EULER  156.5  107.2  139.5 FRAC  0.08  0.40 -0.34 BFAC 
    0.24
   SOLU 6DIM ENSE ensemble1 EULER  273.7  108.5  137.2 FRAC -0.40  0.19 -0.00 BFAC 
    0.24
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3893 RMSD  0.36 #VRMS  1.23

   REFINING SET #37 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.09  0.40 -0.34 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.19 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -707.943               216.723               924.666

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.3  139.0 FRAC  0.10  0.21  0.00 BFAC
    -8.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.8  139.2 FRAC  0.11  0.71 -0.01 BFAC
    -8.87
   SOLU 6DIM ENSE ensemble1 EULER   29.3   96.9  230.0 FRAC -0.36  0.12  0.07 BFAC
    28.68
   SOLU 6DIM ENSE ensemble1 EULER  269.0   95.0  228.0 FRAC -0.02  0.36 -0.26 BFAC
    28.68
   SOLU 6DIM ENSE ensemble1 EULER  155.7  107.1  139.7 FRAC  0.09  0.40 -0.34 BFAC
    -0.94
   SOLU 6DIM ENSE ensemble1 EULER  271.4  106.9  138.4 FRAC -0.40  0.19 -0.01 BFAC
    -0.94
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3305 RMSD  0.36 #VRMS  1.21

   REFINING SET #38 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC -0.21  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC -0.22  0.15 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.29  1.15 -0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC  0.29  0.65 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 27 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -602.629               167.902               770.531

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  269.7  103.8  134.8 FRAC  0.33  0.52 -0.00 BFAC
    -13.24
   SOLU 6DIM ENSE ensemble1 EULER  272.0  105.2  138.2 FRAC  0.33  1.02 -0.01 BFAC
    -13.24
   SOLU 6DIM ENSE ensemble1 EULER  190.1  129.9  344.0 FRAC -0.21  0.65 -0.02 BFAC
    16.04
   SOLU 6DIM ENSE ensemble1 EULER  187.2  132.7  344.2 FRAC -0.22  0.15 -0.02 BFAC
    16.04
   SOLU 6DIM ENSE ensemble1 EULER  192.6  132.2  344.2 FRAC  0.29  1.14 -0.01 BFAC
    20.78
   SOLU 6DIM ENSE ensemble1 EULER  190.6  130.3  341.9 FRAC  0.28  0.64 -0.01 BFAC
    20.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3109 RMSD  0.36 #VRMS  1.20

   REFINING SET #39 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.17  0.52 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.17  1.02 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -716.865               217.297               934.162

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  104.4  135.8 FRAC  0.33  0.52 -0.00 BFAC
    -10.34
   SOLU 6DIM ENSE ensemble1 EULER  274.4  106.2  139.7 FRAC  0.33  1.02 -0.01 BFAC
    -10.34
   SOLU 6DIM ENSE ensemble1 EULER  196.8  130.1  358.2 FRAC -0.13  0.43 -0.04 BFAC
    24.20
   SOLU 6DIM ENSE ensemble1 EULER  194.6  131.3  353.9 FRAC -0.14  0.93 -0.04 BFAC
    24.20
   SOLU 6DIM ENSE ensemble1 EULER  275.2  107.3  138.1 FRAC -0.17  0.51 -0.02 BFAC 
    2.87
   SOLU 6DIM ENSE ensemble1 EULER  275.2  104.2  136.5 FRAC -0.17  1.01 -0.01 BFAC 
    2.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3314 RMSD  0.36 #VRMS  1.21

   REFINING SET #40 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC -0.35  0.56 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC -0.35  0.06 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 42 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -773.234               222.215               995.448

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.9  139.3 FRAC  0.15  0.05 -0.00 BFAC
    -10.70
   SOLU 6DIM ENSE ensemble1 EULER  271.9  108.7  141.9 FRAC  0.15  0.55 -0.02 BFAC
    -10.70
   SOLU 6DIM ENSE ensemble1 EULER  193.7  128.3  352.9 FRAC -0.25 -0.04  0.10 BFAC
    25.34
   SOLU 6DIM ENSE ensemble1 EULER  189.2  131.8  353.1 FRAC -0.23  0.48  0.10 BFAC
    25.34
   SOLU 6DIM ENSE ensemble1 EULER  270.6  109.8  139.8 FRAC -0.35  0.57 -0.00 BFAC 
    3.50
   SOLU 6DIM ENSE ensemble1 EULER  271.8  108.6  141.4 FRAC -0.35  0.06 -0.00 BFAC 
    3.50
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3028 RMSD  0.36 #VRMS  1.20

   REFINING SET #41 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC -0.33  0.26  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  129.5   74.1   49.1 FRAC -0.33 -0.24  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC  0.17  0.76  0.03 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC  0.17  0.27  0.03 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 35 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -591.748               150.632               742.381

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  105.9  138.8 FRAC  0.09  0.21 -0.00 BFAC
    -12.55
   SOLU 6DIM ENSE ensemble1 EULER  271.5  104.1  137.4 FRAC  0.11  0.72 -0.01 BFAC
    -12.55
   SOLU 6DIM ENSE ensemble1 EULER  130.7   77.7   45.8 FRAC -0.34  0.26  0.03 BFAC
    13.20
   SOLU 6DIM ENSE ensemble1 EULER  129.7   74.5   47.5 FRAC -0.33 -0.24  0.03 BFAC
    13.20
   SOLU 6DIM ENSE ensemble1 EULER  129.2   76.2   49.4 FRAC  0.17  0.75  0.03 BFAC
    18.51
   SOLU 6DIM ENSE ensemble1 EULER  132.2   75.7   44.7 FRAC  0.16  0.25  0.03 BFAC
    18.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4280 RMSD  0.36 #VRMS  1.25

   REFINING SET #42 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC -0.44  0.15  0.02 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER  257.6  104.0  219.9 FRAC  0.10  0.45 -0.32 BFAC
    26.42
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC  0.05  0.15  0.02 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   18.2  104.0  219.5 FRAC  0.05  0.65  0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -644.979               164.103               809.082

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.9  105.1  137.8 FRAC  0.10  0.20 -0.00 BFAC
    -13.17
   SOLU 6DIM ENSE ensemble1 EULER  272.9  108.4  140.3 FRAC  0.11  0.70 -0.01 BFAC
    -13.17
   SOLU 6DIM ENSE ensemble1 EULER   14.4  103.4  226.1 FRAC -0.44  0.18  0.02 BFAC
    16.34
   SOLU 6DIM ENSE ensemble1 EULER  251.7  102.1  224.7 FRAC  0.11  0.44 -0.31 BFAC
    16.34
   SOLU 6DIM ENSE ensemble1 EULER   10.1  102.0  226.8 FRAC  0.06  0.18  0.02 BFAC
    19.69
   SOLU 6DIM ENSE ensemble1 EULER   11.5  101.2  224.8 FRAC  0.06  0.68  0.02 BFAC
    19.69
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4059 RMSD  0.36 #VRMS  1.24

   REFINING SET #43 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER   27.4   85.4   46.9 FRAC -0.21  0.12 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER   29.9   85.4   48.4 FRAC -0.21 -0.38 -0.00 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC -0.28 -0.41  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC -0.28  0.09 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 48 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -787.144               213.402              1000.546

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  274.4  109.1  140.9 FRAC  0.24  0.09  0.00 BFAC
    -6.79
   SOLU 6DIM ENSE ensemble1 EULER  275.2  108.3  142.2 FRAC  0.23  0.58 -0.01 BFAC
    -6.79
   SOLU 6DIM ENSE ensemble1 EULER   16.2   74.6   38.9 FRAC -0.21  0.10  0.00 BFAC
    27.49
   SOLU 6DIM ENSE ensemble1 EULER   37.9   87.2   42.1 FRAC -0.20 -0.34 -0.02 BFAC
    27.49
   SOLU 6DIM ENSE ensemble1 EULER  274.5  109.8  140.7 FRAC -0.27 -0.40 -0.00 BFAC
    -3.87
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.3  139.2 FRAC -0.26  0.10  0.00 BFAC
    -3.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3292 RMSD  0.36 #VRMS  1.21

   REFINING SET #44 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC  0.14  0.62  0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC  0.14  0.12  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 29 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -591.236               148.861               740.097

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.3  105.8  140.8 FRAC  0.09  0.21 -0.00 BFAC
    -12.57
   SOLU 6DIM ENSE ensemble1 EULER  270.4  106.5  139.9 FRAC  0.11  0.71 -0.01 BFAC
    -12.57
   SOLU 6DIM ENSE ensemble1 EULER   27.2   88.5   41.9 FRAC -0.36  0.12  0.06 BFAC
    12.78
   SOLU 6DIM ENSE ensemble1 EULER  265.8   86.6   43.8 FRAC -0.02  0.36 -0.27 BFAC
    12.78
   SOLU 6DIM ENSE ensemble1 EULER   26.9   88.3   38.8 FRAC  0.15  0.62  0.06 BFAC
    19.36
   SOLU 6DIM ENSE ensemble1 EULER   25.6   88.2   39.2 FRAC  0.15  0.12  0.07 BFAC
    19.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4244 RMSD  0.36 #VRMS  1.25

   REFINING SET #45 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.19 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -678.963               191.902               870.866

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  103.5  136.9 FRAC  0.12  0.69  0.00 BFAC
    -9.36
   SOLU 6DIM ENSE ensemble1 EULER  273.7  107.1  140.0 FRAC  0.12  1.19 -0.01 BFAC
    -9.36
   SOLU 6DIM ENSE ensemble1 EULER   38.7   77.5   43.9 FRAC -0.29  0.73 -0.01 BFAC
    24.02
   SOLU 6DIM ENSE ensemble1 EULER   37.4   75.6   46.0 FRAC -0.31  0.22 -0.01 BFAC
    24.02
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.2  138.7 FRAC -0.38  0.18 -0.00 BFAC 
    0.74
   SOLU 6DIM ENSE ensemble1 EULER  271.8  105.7  136.8 FRAC -0.38  0.68 -0.01 BFAC 
    0.74
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4622 RMSD  0.36 #VRMS  1.26

   REFINING SET #46 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC  0.04  0.78  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC  0.04  0.28  0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 35 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -640.199               178.389               818.588

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.3  139.7 FRAC  0.10  0.20  0.00 BFAC
    -13.31
   SOLU 6DIM ENSE ensemble1 EULER  272.1  105.5  138.0 FRAC  0.11  0.70 -0.01 BFAC
    -13.31
   SOLU 6DIM ENSE ensemble1 EULER   18.3  110.3  224.4 FRAC -0.45  0.29  0.00 BFAC
    15.87
   SOLU 6DIM ENSE ensemble1 EULER   17.9  109.0  222.7 FRAC -0.45 -0.22 -0.00 BFAC
    15.87
   SOLU 6DIM ENSE ensemble1 EULER   23.4  105.8  224.9 FRAC  0.05  0.79 -0.00 BFAC
    21.69
   SOLU 6DIM ENSE ensemble1 EULER   20.4  109.8  225.8 FRAC  0.05  0.29 -0.00 BFAC
    21.69
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2744 RMSD  0.36 #VRMS  1.19

   REFINING SET #47 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 36 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -733.752               214.797               948.549

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  106.3  138.6 FRAC  0.10  0.20  0.00 BFAC
    -7.65
   SOLU 6DIM ENSE ensemble1 EULER  273.0  107.1  139.1 FRAC  0.11  0.70 -0.01 BFAC
    -7.65
   SOLU 6DIM ENSE ensemble1 EULER   31.0   99.5   29.0 FRAC -0.37  0.12  0.06 BFAC
    27.51
   SOLU 6DIM ENSE ensemble1 EULER  267.4   93.7   55.5 FRAC -0.04  0.34 -0.27 BFAC
    27.51
   SOLU 6DIM ENSE ensemble1 EULER  274.2  109.2  140.0 FRAC -0.39  0.19 -0.00 BFAC
    -2.66
   SOLU 6DIM ENSE ensemble1 EULER  155.6  106.9  140.6 FRAC  0.08  0.39 -0.35 BFAC
    -2.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3160 RMSD  0.36 #VRMS  1.20


   REFINING SET #48 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.9   93.1  229.9 FRAC -0.37  0.09  0.07 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  268.5   93.1  229.2 FRAC -0.04  0.37 -0.26 BFAC
    26.39
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.19 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 29 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -671.237               216.371               887.607

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.0  138.9 FRAC  0.10  0.21  0.00 BFAC
    -8.12
   SOLU 6DIM ENSE ensemble1 EULER  273.0  106.8  138.9 FRAC  0.11  0.71 -0.01 BFAC
    -8.12
   SOLU 6DIM ENSE ensemble1 EULER   29.2   95.9  229.4 FRAC -0.35  0.12  0.07 BFAC
    27.32
   SOLU 6DIM ENSE ensemble1 EULER  268.4   94.6  228.3 FRAC -0.02  0.36 -0.26 BFAC
    27.32
   SOLU 6DIM ENSE ensemble1 EULER  271.6  106.5  138.3 FRAC -0.40  0.19 -0.01 BFAC
    -1.96
   SOLU 6DIM ENSE ensemble1 EULER  156.1  106.6  139.8 FRAC  0.09  0.40 -0.35 BFAC
    -1.96
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3442 RMSD  0.36 #VRMS  1.21

   REFINING SET #49 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC  0.01  0.71 -0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC  0.01  1.21 -0.02 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -580.874               169.162               750.036

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  104.2  136.2 FRAC  0.04  0.58 -0.00 BFAC
    -12.78
   SOLU 6DIM ENSE ensemble1 EULER  271.5  108.3  141.3 FRAC  0.05  1.08 -0.01 BFAC
    -12.78
   SOLU 6DIM ENSE ensemble1 EULER  184.2  131.2  344.6 FRAC -0.48  0.71 -0.01 BFAC
    12.85
   SOLU 6DIM ENSE ensemble1 EULER  186.0  129.7  346.5 FRAC -0.48  0.21 -0.01 BFAC
    12.85
   SOLU 6DIM ENSE ensemble1 EULER  187.1  129.9  343.9 FRAC  0.02  0.70 -0.01 BFAC
    21.19
   SOLU 6DIM ENSE ensemble1 EULER  185.3  128.2  342.3 FRAC  0.02  1.20 -0.01 BFAC
    21.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3612 RMSD  0.36 #VRMS  1.22

   REFINING SET #50 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC  0.14  0.12  0.06 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC  0.14  0.62  0.06 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 38 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -572.856               146.841               719.697

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.8  104.8  137.6 FRAC  0.10  0.19  0.00 BFAC
    -13.12
   SOLU 6DIM ENSE ensemble1 EULER  273.7  108.8  141.0 FRAC  0.11  0.69 -0.01 BFAC
    -13.12
   SOLU 6DIM ENSE ensemble1 EULER   29.8   90.5   44.9 FRAC -0.37  0.12  0.06 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER  269.2   91.3   47.9 FRAC -0.02  0.36 -0.27 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER   29.6   88.9   47.9 FRAC  0.12  0.12  0.06 BFAC
    20.85
   SOLU 6DIM ENSE ensemble1 EULER   30.1   91.7   48.5 FRAC  0.13  0.62  0.06 BFAC
    20.85
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4049 RMSD  0.36 #VRMS  1.24

   REFINING SET #51 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC -0.35 -0.03 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   18.0  105.0  219.3 FRAC -0.35  0.47 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.33 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 38 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -788.740               240.088              1028.828

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.2  106.9  138.0 FRAC  0.10  0.20  0.00 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.7  138.8 FRAC  0.10  0.70 -0.01 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER   19.0  103.4  225.1 FRAC -0.35  0.00 -0.08 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER   15.5  104.9  218.1 FRAC -0.35  0.49 -0.09 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER  156.5  106.0  139.7 FRAC  0.09  0.40 -0.35 BFAC 
    5.17
   SOLU 6DIM ENSE ensemble1 EULER  271.9  107.5  137.1 FRAC -0.40  0.19 -0.00 BFAC 
    5.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2438 RMSD  0.36 #VRMS  1.17

   REFINING SET #52 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  193.0  131.3  348.7 FRAC -0.14  0.41 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  192.8  132.3  348.2 FRAC -0.14  0.91 -0.05 BFAC
    24.39
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.17  1.02 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.17  0.52 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 49 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -716.343               216.692               933.035

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.6  104.4  135.9 FRAC  0.33  0.52 -0.00 BFAC
    -7.71
   SOLU 6DIM ENSE ensemble1 EULER  273.7  106.1  139.2 FRAC  0.33  1.02 -0.01 BFAC
    -7.71
   SOLU 6DIM ENSE ensemble1 EULER  195.5  129.3  357.6 FRAC -0.13  0.43 -0.04 BFAC
    25.43
   SOLU 6DIM ENSE ensemble1 EULER  194.2  131.6  353.3 FRAC -0.14  0.92 -0.04 BFAC
    25.43
   SOLU 6DIM ENSE ensemble1 EULER  274.7  103.6  136.4 FRAC -0.17  1.01 -0.01 BFAC
    -2.29
   SOLU 6DIM ENSE ensemble1 EULER  276.3  107.3  138.6 FRAC -0.17  0.51 -0.02 BFAC
    -2.29
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3463 RMSD  0.36 #VRMS  1.22

   REFINING SET #53 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.19  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 37 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -856.212               181.799              1038.011

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.9  103.0  140.7 FRAC  0.12  0.71  0.00 BFAC
    -6.80
   SOLU 6DIM ENSE ensemble1 EULER  277.1  108.6  140.7 FRAC  0.13  1.19 -0.01 BFAC
    -6.80
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.3   50.1 FRAC -0.31  0.72 -0.02 BFAC
    25.18
   SOLU 6DIM ENSE ensemble1 EULER   32.5   80.9   49.1 FRAC -0.31  0.23 -0.01 BFAC
    25.18
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.8  139.1 FRAC -0.37  0.19  0.00 BFAC
    -3.48
   SOLU 6DIM ENSE ensemble1 EULER  275.7  108.1  141.1 FRAC -0.38  0.69  0.00 BFAC
    -3.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4158 RMSD  0.36 #VRMS  1.24

   REFINING SET #54 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC -0.33  0.26  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  129.5   74.1   49.1 FRAC -0.33 -0.24  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40 -0.30 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 45 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -621.493               209.729               831.222

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.9  105.5  138.2 FRAC  0.10  0.21  0.00 BFAC
    -7.89
   SOLU 6DIM ENSE ensemble1 EULER  271.8  106.1  136.8 FRAC  0.10  0.70 -0.01 BFAC
    -7.89
   SOLU 6DIM ENSE ensemble1 EULER  128.1   72.0   44.6 FRAC -0.33  0.27  0.02 BFAC
    25.02
   SOLU 6DIM ENSE ensemble1 EULER  135.6   74.3   40.7 FRAC -0.33 -0.22  0.03 BFAC
    25.02
   SOLU 6DIM ENSE ensemble1 EULER  271.1  105.9  136.6 FRAC -0.40  0.19 -0.01 BFAC
    -1.96
   SOLU 6DIM ENSE ensemble1 EULER  274.8  105.9  138.2 FRAC -0.40 -0.31 -0.01 BFAC
    -1.96
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4474 RMSD  0.36 #VRMS  1.26

   REFINING SET #55 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   32.7   73.7   46.9 FRAC -0.29  0.73 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER   32.5   75.3   47.9 FRAC -0.30  0.22 -0.01 BFAC
    25.78
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.19 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -666.175               196.180               862.355

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.5  102.5  136.5 FRAC  0.12  0.70 -0.00 BFAC
    -7.55
   SOLU 6DIM ENSE ensemble1 EULER  274.4  106.5  140.1 FRAC  0.12  1.19 -0.01 BFAC
    -7.55
   SOLU 6DIM ENSE ensemble1 EULER   38.7   78.2   45.5 FRAC -0.29  0.73 -0.01 BFAC
    20.64
   SOLU 6DIM ENSE ensemble1 EULER   37.3   76.0   46.4 FRAC -0.31  0.22 -0.01 BFAC
    20.64
   SOLU 6DIM ENSE ensemble1 EULER  272.6  104.7  137.4 FRAC -0.39  0.68 -0.01 BFAC
    -1.64
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.2  137.9 FRAC -0.38  0.18 -0.01 BFAC
    -1.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4212 RMSD  0.36 #VRMS  1.25

   REFINING SET #56 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   30.6   84.3   48.8 FRAC -0.37  0.28 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   31.2   81.4   48.4 FRAC -0.37 -0.22 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC -0.44 -0.24  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC -0.44  0.26 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -825.303               215.030              1040.332

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  278.0  107.7  139.8 FRAC  0.06  0.25 -0.00 BFAC
    -2.75
   SOLU 6DIM ENSE ensemble1 EULER  275.6  107.2  142.3 FRAC  0.05  0.75 -0.01 BFAC
    -2.75
   SOLU 6DIM ENSE ensemble1 EULER   30.5   91.8   43.7 FRAC -0.37  0.29 -0.02 BFAC
    24.44
   SOLU 6DIM ENSE ensemble1 EULER   33.9   93.5   47.2 FRAC -0.38 -0.21 -0.01 BFAC
    24.44
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.5  141.3 FRAC -0.44 -0.25 -0.00 BFAC
    -7.27
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.7  139.1 FRAC -0.45  0.25  0.01 BFAC
    -7.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3415 RMSD  0.36 #VRMS  1.21

   REFINING SET #57 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC -0.40  0.45 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC -0.40  0.95 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 32 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -787.139               184.490               971.629

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.9  137.6 FRAC  0.09  0.45 -0.00 BFAC
    -7.80
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.5  138.7 FRAC  0.09  0.95 -0.01 BFAC
    -7.80
   SOLU 6DIM ENSE ensemble1 EULER  351.0  156.0  351.1 FRAC -0.33  0.37 -0.03 BFAC
    27.55
   SOLU 6DIM ENSE ensemble1 EULER  346.8  160.1  348.3 FRAC -0.35  0.86 -0.03 BFAC
    27.55
   SOLU 6DIM ENSE ensemble1 EULER  270.8  106.3  138.4 FRAC -0.40  0.46  0.00 BFAC
    -2.46
   SOLU 6DIM ENSE ensemble1 EULER  277.3  106.6  141.4 FRAC -0.41  0.95 -0.01 BFAC
    -2.46
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3752 RMSD  0.36 #VRMS  1.23

   REFINING SET #58 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  1.19  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.70 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -846.750               211.410              1058.160

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  274.9  104.1  136.4 FRAC  0.12  0.70  0.00 BFAC
    -10.50
   SOLU 6DIM ENSE ensemble1 EULER  276.0  106.6  140.2 FRAC  0.13  1.20 -0.00 BFAC
    -10.50
   SOLU 6DIM ENSE ensemble1 EULER   30.7   85.3   48.1 FRAC -0.34  0.59  0.06 BFAC
    24.85
   SOLU 6DIM ENSE ensemble1 EULER   31.1   90.5   48.2 FRAC -0.33  1.10  0.05 BFAC
    24.85
   SOLU 6DIM ENSE ensemble1 EULER  273.0  104.8  138.1 FRAC -0.37  1.21  0.00 BFAC 
    3.12
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  137.5 FRAC -0.36  0.71  0.01 BFAC 
    3.12
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3428 RMSD  0.36 #VRMS  1.21

   REFINING SET #59 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC -0.45  0.07  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC -0.45  0.57 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 28 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -692.066               111.822               803.888

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  267.6  104.2  133.8 FRAC  0.04  0.58  0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  289.1  113.1  146.7 FRAC  0.04  1.04 -0.02 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  201.4  131.7  341.2 FRAC -0.50  0.71 -0.03 BFAC
    27.57
   SOLU 6DIM ENSE ensemble1 EULER  175.1  133.3  325.4 FRAC -0.49  0.20 -0.02 BFAC
    27.57
   SOLU 6DIM ENSE ensemble1 EULER  266.8  105.1  131.7 FRAC -0.47  0.08  0.01 BFAC
    -9.51
   SOLU 6DIM ENSE ensemble1 EULER  267.5  106.0  134.3 FRAC -0.46  0.58  0.01 BFAC
    -9.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.5675 RMSD  0.36 #VRMS  1.30

   REFINING SET #60 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   30.6   84.3   48.8 FRAC -0.37  0.28 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   31.2   81.4   48.4 FRAC -0.37 -0.22 -0.01 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC -0.44  0.26  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC -0.44 -0.24 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 35 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -791.828               215.251              1007.079

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  276.8  107.9  139.6 FRAC  0.06  0.25 -0.00 BFAC
    -0.63
   SOLU 6DIM ENSE ensemble1 EULER  275.3  107.2  142.4 FRAC  0.06  0.75 -0.01 BFAC
    -0.63
   SOLU 6DIM ENSE ensemble1 EULER   30.5   92.0   43.8 FRAC -0.37  0.29 -0.02 BFAC
    24.02
   SOLU 6DIM ENSE ensemble1 EULER   33.9   93.2   47.4 FRAC -0.38 -0.21 -0.01 BFAC
    24.02
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.6  139.1 FRAC -0.45  0.25  0.01 BFAC
    -8.60
   SOLU 6DIM ENSE ensemble1 EULER  272.1  107.9  141.2 FRAC -0.44 -0.24  0.00 BFAC
    -8.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3712 RMSD  0.36 #VRMS  1.23

   REFINING SET #61 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   30.4   84.2   49.2 FRAC -0.31  0.72 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER   28.9   83.9   49.0 FRAC -0.31  0.22 -0.01 BFAC
    25.44
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.37  0.70  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.37  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 32 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -815.397               204.871              1020.268

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  275.0  105.1  139.9 FRAC  0.13  0.69 -0.00 BFAC
    -8.08
   SOLU 6DIM ENSE ensemble1 EULER  275.7  109.0  142.9 FRAC  0.12  1.19 -0.01 BFAC
    -8.08
   SOLU 6DIM ENSE ensemble1 EULER   31.7   90.8   52.4 FRAC -0.33  0.71 -0.01 BFAC
    23.22
   SOLU 6DIM ENSE ensemble1 EULER   33.5   84.9   51.3 FRAC -0.33  0.21 -0.01 BFAC
    23.22
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.3 FRAC -0.36  0.71  0.00 BFAC
    -1.34
   SOLU 6DIM ENSE ensemble1 EULER  272.9  105.9  141.1 FRAC -0.37  0.20  0.00 BFAC
    -1.34
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3559 RMSD  0.36 #VRMS  1.22

   REFINING SET #62 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC -0.21  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC -0.22  0.15 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.18  0.51 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.18  0.01 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 33 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -638.037               211.587               849.625

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.4  104.6  136.7 FRAC  0.33  0.52 -0.00 BFAC
    -5.66
   SOLU 6DIM ENSE ensemble1 EULER  272.6  104.5  137.4 FRAC  0.32  1.01 -0.01 BFAC
    -5.66
   SOLU 6DIM ENSE ensemble1 EULER  194.5  128.9  352.8 FRAC -0.22  0.66 -0.00 BFAC
    24.40
   SOLU 6DIM ENSE ensemble1 EULER  192.7  132.9  352.4 FRAC -0.20  0.17 -0.01 BFAC
    24.40
   SOLU 6DIM ENSE ensemble1 EULER  272.6  103.9  136.9 FRAC -0.18  0.50 -0.00 BFAC
    -4.68
   SOLU 6DIM ENSE ensemble1 EULER  276.8  106.2  138.6 FRAC -0.18 -0.01 -0.01 BFAC
    -4.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3631 RMSD  0.36 #VRMS  1.22

   REFINING SET #63 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  238.8  158.5    1.2 FRAC  0.38  1.18  0.30 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  357.2  160.8  359.6 FRAC -0.18  0.70 -0.03 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.76  1.28 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC -0.24  0.78 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 47 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -789.987               183.075               973.062

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.7  138.5 FRAC  0.25  0.78 -0.00 BFAC
    -11.11
   SOLU 6DIM ENSE ensemble1 EULER  273.3  107.0  139.2 FRAC  0.26  1.28 -0.01 BFAC
    -11.11
   SOLU 6DIM ENSE ensemble1 EULER  237.2  158.3  358.0 FRAC  0.38  1.17  0.31 BFAC
    30.22
   SOLU 6DIM ENSE ensemble1 EULER  351.8  162.0  352.7 FRAC -0.18  0.70 -0.03 BFAC
    30.22
   SOLU 6DIM ENSE ensemble1 EULER  274.5  105.1  140.0 FRAC  0.76  1.27 -0.01 BFAC 
    3.64
   SOLU 6DIM ENSE ensemble1 EULER  278.4  106.6  139.9 FRAC -0.25  0.76 -0.02 BFAC 
    3.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3323 RMSD  0.36 #VRMS  1.21

   REFINING SET #64 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC  0.15  0.06  0.00 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.4  139.0 FRAC  0.15  0.56 -0.01 BFAC 
    1.08
   SOLU 6DIM ENSE ensemble1 EULER  189.9  128.7  346.1 FRAC -0.24 -0.02  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  126.9  347.6 FRAC -0.24  0.48  0.09 BFAC
    25.62
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC -0.34  0.06 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  137.3 FRAC -0.34  0.56 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 45 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -788.171               222.126              1010.297

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  276.1  106.7  138.1 FRAC  0.14  0.06 -0.00 BFAC
    -10.84
   SOLU 6DIM ENSE ensemble1 EULER  274.0  105.1  137.6 FRAC  0.15  0.56 -0.01 BFAC
    -10.84
   SOLU 6DIM ENSE ensemble1 EULER  199.6  125.1  354.7 FRAC -0.26 -0.04  0.10 BFAC
    28.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  132.5  357.3 FRAC -0.23  0.48  0.10 BFAC
    28.62
   SOLU 6DIM ENSE ensemble1 EULER  274.5  104.6  136.4 FRAC -0.35  0.06 -0.01 BFAC 
    3.19
   SOLU 6DIM ENSE ensemble1 EULER  277.1  108.4  139.1 FRAC -0.35  0.56 -0.01 BFAC 
    3.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2953 RMSD  0.36 #VRMS  1.19

   REFINING SET #65 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.70 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -806.411               231.967              1038.378

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.6  138.6 FRAC  0.10  0.21  0.01 BFAC
    -7.72
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.2  138.2 FRAC  0.10  0.70 -0.00 BFAC
    -7.72
   SOLU 6DIM ENSE ensemble1 EULER   40.0   75.0   40.7 FRAC  0.68  0.72  0.00 BFAC
    24.93
   SOLU 6DIM ENSE ensemble1 EULER   37.5   76.7   39.4 FRAC -0.34  0.20 -0.00 BFAC
    24.93
   SOLU 6DIM ENSE ensemble1 EULER  272.7  108.2  138.8 FRAC -0.40  0.19 -0.00 BFAC
    -2.19
   SOLU 6DIM ENSE ensemble1 EULER  275.0  106.6  140.0 FRAC  0.60  0.69 -0.01 BFAC
    -2.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2810 RMSD  0.36 #VRMS  1.19

   REFINING SET #66 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC  0.05  0.57 -0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  139.4 FRAC  0.05  1.07 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  192.9  128.3  349.7 FRAC -0.49  0.71 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  191.2  128.5  348.9 FRAC -0.49  0.21 -0.02 BFAC
    24.73
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC -0.45  0.57  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.4  136.9 FRAC -0.45  0.07 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 48 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -672.141               209.793               881.935

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  277.1  104.1  134.4 FRAC  0.03  0.56  0.00 BFAC
    -6.46
   SOLU 6DIM ENSE ensemble1 EULER  278.7  105.8  138.3 FRAC  0.04  1.06 -0.00 BFAC
    -6.46
   SOLU 6DIM ENSE ensemble1 EULER  190.6  125.7  344.8 FRAC -0.50  0.69 -0.02 BFAC
    22.08
   SOLU 6DIM ENSE ensemble1 EULER  193.7  122.4  346.5 FRAC -0.52  0.18 -0.03 BFAC
    22.08
   SOLU 6DIM ENSE ensemble1 EULER  274.8  104.4  136.1 FRAC -0.46  0.58  0.01 BFAC
    -3.36
   SOLU 6DIM ENSE ensemble1 EULER  275.8  103.7  136.0 FRAC -0.47  0.07  0.00 BFAC
    -3.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3766 RMSD  0.36 #VRMS  1.23

   REFINING SET #67 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.37  1.20  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.37  0.70 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -854.842               177.407              1032.248

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  139.2 FRAC  0.12  0.70  0.00 BFAC
    -10.17
   SOLU 6DIM ENSE ensemble1 EULER  273.5  107.5  139.6 FRAC  0.13  1.20 -0.01 BFAC
    -10.17
   SOLU 6DIM ENSE ensemble1 EULER  334.9  158.0  340.8 FRAC -0.32  0.60 -0.02 BFAC
    28.21
   SOLU 6DIM ENSE ensemble1 EULER  328.4  159.0  341.4 FRAC -0.37  1.08 -0.03 BFAC
    28.21
   SOLU 6DIM ENSE ensemble1 EULER  273.1  109.5  140.4 FRAC -0.37  1.19 -0.01 BFAC 
    1.67
   SOLU 6DIM ENSE ensemble1 EULER  273.8  110.0  138.2 FRAC -0.38  0.69 -0.01 BFAC 
    1.67
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3922 RMSD  0.36 #VRMS  1.23

   REFINING SET #68 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   28.8   88.8   45.3 FRAC -0.34  0.61  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER   28.4   88.6   44.9 FRAC -0.34  1.11  0.07 BFAC
    26.20
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.70  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  1.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -818.245               212.126              1030.371

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  275.0  103.8  136.4 FRAC  0.13  0.70  0.00 BFAC
    -10.39
   SOLU 6DIM ENSE ensemble1 EULER  276.0  106.7  140.4 FRAC  0.13  1.20 -0.00 BFAC
    -10.39
   SOLU 6DIM ENSE ensemble1 EULER   30.5   86.4   48.0 FRAC -0.34  0.59  0.06 BFAC
    25.46
   SOLU 6DIM ENSE ensemble1 EULER   31.3   91.2   48.1 FRAC -0.33  1.10  0.05 BFAC
    25.46
   SOLU 6DIM ENSE ensemble1 EULER  272.1  105.7  138.2 FRAC -0.36  0.72  0.01 BFAC 
    2.71
   SOLU 6DIM ENSE ensemble1 EULER  273.0  104.3  138.3 FRAC -0.37  1.21  0.00 BFAC 
    2.71
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3113 RMSD  0.36 #VRMS  1.20

   REFINING SET #69 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.63  0.79  0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   28.1   86.1   49.2 FRAC -0.37  0.28 -0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.76  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC -0.44  0.26 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 27 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -850.786               200.501              1051.287

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  109.9  140.3 FRAC  0.07  0.26 -0.00 BFAC
    -8.21
   SOLU 6DIM ENSE ensemble1 EULER  273.7  109.5  140.6 FRAC  0.07  0.76 -0.01 BFAC
    -8.21
   SOLU 6DIM ENSE ensemble1 EULER   31.7   87.1   55.6 FRAC  0.61  0.77  0.00 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   28.2   86.3   54.2 FRAC -0.39  0.27 -0.00 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER  270.0  108.3  139.0 FRAC  0.57  0.78  0.00 BFAC
    -1.60
   SOLU 6DIM ENSE ensemble1 EULER  270.7  107.6  140.4 FRAC -0.43  0.27 -0.00 BFAC
    -1.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3680 RMSD  0.36 #VRMS  1.22

   REFINING SET #70 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   16.6  104.4  217.6 FRAC -0.35 -0.03 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER   18.0  105.0  219.3 FRAC -0.35  0.47 -0.09 BFAC
    25.28
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -773.720               209.540               983.260

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.1  139.1 FRAC  0.11  0.20  0.00 BFAC
    -6.92
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.5  138.2 FRAC  0.11  0.69 -0.01 BFAC
    -6.92
   SOLU 6DIM ENSE ensemble1 EULER   14.6  102.7  218.6 FRAC -0.35 -0.04 -0.08 BFAC
    24.17
   SOLU 6DIM ENSE ensemble1 EULER   18.8  107.8  219.6 FRAC -0.35  0.46 -0.07 BFAC
    24.17
   SOLU 6DIM ENSE ensemble1 EULER  275.8  109.5  140.4 FRAC -0.39  0.19 -0.01 BFAC
    -3.16
   SOLU 6DIM ENSE ensemble1 EULER  155.1  107.1  139.6 FRAC  0.08  0.39 -0.35 BFAC
    -3.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3706 RMSD  0.36 #VRMS  1.23

   REFINING SET #71 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   28.3   88.3   44.8 FRAC -0.36  0.13  0.06 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  266.9   87.2   46.5 FRAC -0.02  0.36 -0.27 BFAC
    25.82
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.33 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -791.927               223.847              1015.773

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.8 FRAC  0.10  0.20  0.00 BFAC
    -8.65
   SOLU 6DIM ENSE ensemble1 EULER  271.1  107.1  137.1 FRAC  0.11  0.71 -0.00 BFAC
    -8.65
   SOLU 6DIM ENSE ensemble1 EULER   29.6   88.9   49.0 FRAC -0.36  0.15  0.06 BFAC
    27.37
   SOLU 6DIM ENSE ensemble1 EULER  271.9   93.1   48.8 FRAC  0.01  0.37 -0.28 BFAC
    27.37
   SOLU 6DIM ENSE ensemble1 EULER  155.3  106.5  140.3 FRAC  0.09  0.40 -0.34 BFAC
    -1.13
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.3  139.3 FRAC -0.40  0.19 -0.00 BFAC
    -1.13
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3318 RMSD  0.36 #VRMS  1.21

   REFINING SET #72 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC  0.33  0.52 -0.00 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.33  1.02 -0.01 BFAC 
    0.66
   SOLU 6DIM ENSE ensemble1 EULER  191.7  129.4  347.0 FRAC -0.21  0.66 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  189.3  132.0  346.5 FRAC -0.22  0.15 -0.02 BFAC
    23.60
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.18  0.01 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  270.2  104.5  135.8 FRAC -0.18  0.51 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 31 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -666.542               170.193               836.735

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  276.2  107.1  140.6 FRAC  0.32  0.51  0.00 BFAC
    -7.29
   SOLU 6DIM ENSE ensemble1 EULER  274.8  106.5  141.4 FRAC  0.33  1.02 -0.00 BFAC
    -7.29
   SOLU 6DIM ENSE ensemble1 EULER  199.4  128.0  352.0 FRAC -0.22  0.66 -0.01 BFAC
    22.97
   SOLU 6DIM ENSE ensemble1 EULER  202.8  129.2  354.6 FRAC -0.22  0.16 -0.02 BFAC
    22.97
   SOLU 6DIM ENSE ensemble1 EULER  278.3  106.4  141.3 FRAC -0.18  0.01 -0.01 BFAC
    -2.48
   SOLU 6DIM ENSE ensemble1 EULER  263.3  105.0  133.1 FRAC -0.17  0.48 -0.02 BFAC
    -2.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.5062 RMSD  0.36 #VRMS  1.28

   REFINING SET #73 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.9  356.6 FRAC -0.33  0.61 -0.03 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  353.4  158.3  359.2 FRAC -0.34  1.11 -0.04 BFAC
    25.38
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.37  0.70  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.37  1.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 22 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -808.341               122.407               930.749

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  284.4  115.2  139.3 FRAC  0.09  0.70  0.01 BFAC 
    6.77
   SOLU 6DIM ENSE ensemble1 EULER  272.0  107.7  140.3 FRAC  0.14  1.20 -0.01 BFAC 
    6.77
   SOLU 6DIM ENSE ensemble1 EULER  322.1  159.1  330.2 FRAC -0.37  0.58 -0.03 BFAC
    26.79
   SOLU 6DIM ENSE ensemble1 EULER  327.3  160.4  333.0 FRAC -0.34  1.09 -0.03 BFAC
    26.79
   SOLU 6DIM ENSE ensemble1 EULER  272.2  107.0  140.9 FRAC -0.37  0.70 -0.01 BFAC
    -11.90
   SOLU 6DIM ENSE ensemble1 EULER  271.8  105.8  140.6 FRAC -0.36  1.20 -0.02 BFAC
    -11.90
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4997 RMSD  0.36 #VRMS  1.28

   REFINING SET #74 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.9   72.5   50.3 FRAC  0.45  1.21  0.27 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER   37.4   72.7   49.0 FRAC -0.21  0.73 -0.07 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.62  1.19 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 31 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -796.681               195.867               992.547

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.9  139.4 FRAC  0.12  0.69 -0.00 BFAC
    -8.72
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.5  139.1 FRAC  0.12  1.19 -0.01 BFAC
    -8.72
   SOLU 6DIM ENSE ensemble1 EULER  271.7   73.0   50.9 FRAC  0.45  1.21  0.27 BFAC
    26.95
   SOLU 6DIM ENSE ensemble1 EULER   30.7   77.8   49.1 FRAC -0.22  0.74 -0.07 BFAC
    26.95
   SOLU 6DIM ENSE ensemble1 EULER  273.9  105.7  141.3 FRAC -0.39  0.68 -0.00 BFAC
    -0.95
   SOLU 6DIM ENSE ensemble1 EULER  272.7  106.4  139.2 FRAC  0.62  1.17 -0.01 BFAC
    -0.95
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3462 RMSD  0.36 #VRMS  1.22

   REFINING SET #75 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER    2.1  156.8    4.1 FRAC -0.34  0.37 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  359.7  159.7    3.3 FRAC -0.34  0.87 -0.03 BFAC
    24.08
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC -0.41  0.95 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC -0.41  0.45 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 46 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -833.528               197.151              1030.680

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.2  107.2  139.9 FRAC  0.09  0.44 -0.00 BFAC
    -9.64
   SOLU 6DIM ENSE ensemble1 EULER  273.0  107.0  139.2 FRAC  0.09  0.93 -0.01 BFAC
    -9.64
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.8  347.4 FRAC -0.33  0.38 -0.01 BFAC
    33.58
   SOLU 6DIM ENSE ensemble1 EULER  336.4  160.4  348.2 FRAC -0.37  0.83 -0.04 BFAC
    33.58
   SOLU 6DIM ENSE ensemble1 EULER  269.7  105.9  137.2 FRAC -0.40  0.95  0.00 BFAC
    -0.13
   SOLU 6DIM ENSE ensemble1 EULER  270.3  105.7  139.9 FRAC -0.41  0.45 -0.00 BFAC
    -0.13
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2906 RMSD  0.36 #VRMS  1.19

   REFINING SET #76 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC  0.05  0.28  0.01 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC  0.05  0.79  0.00 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 45 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -604.963               179.065               784.028

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.6 FRAC  0.10  0.20  0.00 BFAC
    -12.98
   SOLU 6DIM ENSE ensemble1 EULER  272.1  105.6  138.1 FRAC  0.11  0.70 -0.01 BFAC
    -12.98
   SOLU 6DIM ENSE ensemble1 EULER   18.5  110.6  224.7 FRAC -0.45  0.29  0.00 BFAC
    14.64
   SOLU 6DIM ENSE ensemble1 EULER   17.9  109.3  223.0 FRAC -0.45 -0.22 -0.00 BFAC
    14.64
   SOLU 6DIM ENSE ensemble1 EULER   20.5  110.1  226.0 FRAC  0.05  0.29 -0.00 BFAC
    20.24
   SOLU 6DIM ENSE ensemble1 EULER   23.6  105.9  225.2 FRAC  0.05  0.79 -0.00 BFAC
    20.24
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2985 RMSD  0.36 #VRMS  1.20

   REFINING SET #77 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   27.9   85.7   48.8 FRAC  0.63  0.79  0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER   28.1   86.1   49.2 FRAC -0.37  0.28 -0.00 BFAC
    25.07
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC -0.44  0.26  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.76 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -816.273               212.199              1028.473

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.3  109.7  140.7 FRAC  0.06  0.26  0.00 BFAC
    -6.12
   SOLU 6DIM ENSE ensemble1 EULER  275.7  107.3  141.8 FRAC  0.06  0.75 -0.00 BFAC
    -6.12
   SOLU 6DIM ENSE ensemble1 EULER   32.4   92.1   43.7 FRAC  0.61  0.79 -0.01 BFAC
    28.34
   SOLU 6DIM ENSE ensemble1 EULER   31.6   92.6   43.7 FRAC -0.37  0.30 -0.01 BFAC
    28.34
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.7  139.6 FRAC -0.44  0.26  0.01 BFAC
    -4.67
   SOLU 6DIM ENSE ensemble1 EULER  271.2  108.0  141.9 FRAC  0.57  0.76  0.00 BFAC
    -4.67
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3482 RMSD  0.36 #VRMS  1.22

   REFINING SET #78 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  238.8  158.5    1.2 FRAC  0.38  1.18  0.30 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  357.2  160.8  359.6 FRAC -0.18  0.70 -0.03 BFAC
    24.66
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC -0.24  0.78  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.76  1.28 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 31 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -794.996                93.543               888.539

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.7  136.6 FRAC  0.26  0.79  0.01 BFAC 
    6.26
   SOLU 6DIM ENSE ensemble1 EULER  289.2  109.5  156.0 FRAC  0.26  1.26 -0.02 BFAC 
    6.26
   SOLU 6DIM ENSE ensemble1 EULER  214.1  148.4  343.1 FRAC  0.43  1.23  0.29 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER   15.9  163.5    5.0 FRAC -0.19  0.67 -0.04 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER  271.8  106.1  136.4 FRAC -0.24  0.79  0.01 BFAC
    -11.83
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.0  137.8 FRAC  0.77  1.29  0.01 BFAC
    -11.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.6859 RMSD  0.36 #VRMS  1.35

   REFINING SET #79 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.70 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 42 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -783.709               200.228               983.937

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.6  139.0 FRAC  0.10  0.20 -0.00 BFAC
    -8.58
   SOLU 6DIM ENSE ensemble1 EULER  271.9  107.2  139.0 FRAC  0.11  0.70 -0.01 BFAC
    -8.58
   SOLU 6DIM ENSE ensemble1 EULER  193.0  130.6  352.7 FRAC  0.50  0.24  0.05 BFAC
    25.32
   SOLU 6DIM ENSE ensemble1 EULER  193.7  130.8  352.2 FRAC  0.49  0.73  0.05 BFAC
    25.32
   SOLU 6DIM ENSE ensemble1 EULER  275.5  106.6  140.5 FRAC  0.60  0.69 -0.02 BFAC
    -0.92
   SOLU 6DIM ENSE ensemble1 EULER  273.4  109.6  141.2 FRAC  0.60  0.19 -0.01 BFAC
    -0.92
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3393 RMSD  0.36 #VRMS  1.21

   REFINING SET #80 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  131.5   74.2   47.4 FRAC -0.33  0.26  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  129.5   74.1   49.1 FRAC -0.33 -0.24  0.03 BFAC
    25.37
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.70 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 46 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -768.124               210.766               978.890

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.6  105.4  138.1 FRAC  0.10  0.21  0.01 BFAC
    -7.04
   SOLU 6DIM ENSE ensemble1 EULER  271.9  106.0  136.9 FRAC  0.10  0.70 -0.01 BFAC
    -7.04
   SOLU 6DIM ENSE ensemble1 EULER  130.1   73.2   43.9 FRAC -0.34  0.27  0.02 BFAC
    26.59
   SOLU 6DIM ENSE ensemble1 EULER  136.2   75.5   39.9 FRAC -0.34 -0.23  0.03 BFAC
    26.59
   SOLU 6DIM ENSE ensemble1 EULER  274.9  105.7  138.5 FRAC  0.60  0.69 -0.01 BFAC
    -3.36
   SOLU 6DIM ENSE ensemble1 EULER  271.3  105.7  136.6 FRAC  0.60  0.19 -0.00 BFAC
    -3.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3298 RMSD  0.36 #VRMS  1.21

   REFINING SET #81 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  187.3  127.7  341.7 FRAC  0.48  0.21  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  188.6  129.0  343.2 FRAC  0.48  0.71  0.04 BFAC
    24.18
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.70 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -688.933               219.571               908.504

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.0  138.8 FRAC  0.10  0.20  0.00 BFAC
    -9.41
   SOLU 6DIM ENSE ensemble1 EULER  271.4  105.5  137.9 FRAC  0.10  0.70 -0.01 BFAC
    -9.41
   SOLU 6DIM ENSE ensemble1 EULER  188.0  129.1  345.3 FRAC  0.43  0.18  0.04 BFAC
    28.09
   SOLU 6DIM ENSE ensemble1 EULER  188.7  128.0  346.1 FRAC  0.44  0.69  0.05 BFAC
    28.09
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.0  137.0 FRAC  0.60  0.19 -0.00 BFAC 
    0.12
   SOLU 6DIM ENSE ensemble1 EULER  275.3  107.1  139.7 FRAC  0.60  0.69 -0.01 BFAC 
    0.12
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3146 RMSD  0.36 #VRMS  1.20

   REFINING SET #82 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.76  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.26 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -817.995               224.358              1042.353

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  270.9  107.8  139.4 FRAC  0.07  0.27 -0.00 BFAC
    -5.03
   SOLU 6DIM ENSE ensemble1 EULER  268.3  109.1  137.7 FRAC  0.07  0.77 -0.00 BFAC
    -5.03
   SOLU 6DIM ENSE ensemble1 EULER   45.4   79.7   43.5 FRAC  0.49  0.37 -0.02 BFAC
    24.06
   SOLU 6DIM ENSE ensemble1 EULER   44.0   74.4   43.0 FRAC  0.48  0.86 -0.02 BFAC
    24.06
   SOLU 6DIM ENSE ensemble1 EULER  272.1  108.4  140.4 FRAC  0.57  0.75 -0.01 BFAC
    -5.28
   SOLU 6DIM ENSE ensemble1 EULER  273.0  106.2  141.4 FRAC  0.56  0.25 -0.00 BFAC
    -5.28
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3535 RMSD  0.36 #VRMS  1.22

   REFINING SET #83 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.70 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 39 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -790.309               196.254               986.564

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  275.1  105.2  139.3 FRAC  0.10  0.20  0.00 BFAC
    -7.48
   SOLU 6DIM ENSE ensemble1 EULER  274.3  105.0  137.9 FRAC  0.10  0.69 -0.00 BFAC
    -7.48
   SOLU 6DIM ENSE ensemble1 EULER  183.0  124.7  337.5 FRAC -0.36  0.12 -0.06 BFAC
    24.69
   SOLU 6DIM ENSE ensemble1 EULER  190.3  118.2  339.6 FRAC -0.37  0.61 -0.05 BFAC
    24.69
   SOLU 6DIM ENSE ensemble1 EULER  275.0  106.2  137.5 FRAC -0.41  0.19 -0.00 BFAC
    -2.49
   SOLU 6DIM ENSE ensemble1 EULER  277.4  106.3  139.2 FRAC -0.39  0.69 -0.01 BFAC
    -2.49
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3659 RMSD  0.36 #VRMS  1.22

   REFINING SET #84 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  275.9   72.5   50.3 FRAC  0.45  1.21  0.27 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER   37.4   72.7   49.0 FRAC -0.21  0.73 -0.07 BFAC
    25.25
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.62  1.19  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -824.540               209.022              1033.563

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.6  139.0 FRAC  0.14  0.69  0.00 BFAC
    -9.45
   SOLU 6DIM ENSE ensemble1 EULER  274.8  107.8  141.5 FRAC  0.14  1.18 -0.00 BFAC
    -9.45
   SOLU 6DIM ENSE ensemble1 EULER  283.3   69.0   39.4 FRAC  0.45  1.19  0.27 BFAC
    27.89
   SOLU 6DIM ENSE ensemble1 EULER   40.8   74.9   43.6 FRAC -0.19  0.76 -0.07 BFAC
    27.89
   SOLU 6DIM ENSE ensemble1 EULER  277.0  109.1  142.5 FRAC  0.63  1.17 -0.01 BFAC 
    0.23
   SOLU 6DIM ENSE ensemble1 EULER  274.6  109.7  140.8 FRAC -0.36  0.68 -0.00 BFAC 
    0.23
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2764 RMSD  0.36 #VRMS  1.19

   REFINING SET #85 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  1.19 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 45 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -856.944               196.258              1053.202

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  269.2  106.9  140.0 FRAC  0.15  0.70  0.00 BFAC
    -5.61
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.7  142.7 FRAC  0.14  1.19 -0.01 BFAC
    -5.61
   SOLU 6DIM ENSE ensemble1 EULER   32.3   84.6   51.6 FRAC -0.23  0.70 -0.12 BFAC
    23.23
   SOLU 6DIM ENSE ensemble1 EULER   33.3   82.5   50.9 FRAC -0.23  1.20 -0.11 BFAC
    23.23
   SOLU 6DIM ENSE ensemble1 EULER  272.6  113.6  141.4 FRAC -0.36  1.18 -0.01 BFAC
    -4.57
   SOLU 6DIM ENSE ensemble1 EULER  272.2  113.4  141.2 FRAC -0.35  0.69 -0.01 BFAC
    -4.57
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3909 RMSD  0.36 #VRMS  1.23

   REFINING SET #86 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC  0.12  0.69  0.00 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.0  139.7 FRAC  0.13  1.20 -0.01 BFAC 
    0.93
   SOLU 6DIM ENSE ensemble1 EULER   33.7   88.6   52.8 FRAC -0.24  0.70 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.9   52.5 FRAC -0.24  1.20 -0.12 BFAC
    24.13
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  0.69 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.1  139.2 FRAC -0.38  1.19 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 37 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -792.599               165.868               958.467

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  278.1  106.8  135.5 FRAC  0.10  0.72  0.03 BFAC
    -1.93
   SOLU 6DIM ENSE ensemble1 EULER  275.4  107.3  140.6 FRAC  0.12  1.19 -0.01 BFAC
    -1.93
   SOLU 6DIM ENSE ensemble1 EULER   31.7   79.2   50.0 FRAC -0.23  0.74 -0.12 BFAC
    23.92
   SOLU 6DIM ENSE ensemble1 EULER   30.8   79.8   50.1 FRAC -0.24  1.23 -0.12 BFAC
    23.92
   SOLU 6DIM ENSE ensemble1 EULER  275.9  107.6  141.1 FRAC -0.37  0.69 -0.02 BFAC
    -7.78
   SOLU 6DIM ENSE ensemble1 EULER  274.3  105.9  139.5 FRAC -0.38  1.18 -0.02 BFAC
    -7.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4611 RMSD  0.36 #VRMS  1.26

   REFINING SET #87 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.06  0.26  0.00 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.2 FRAC  0.06  0.76 -0.01 BFAC 
    0.97
   SOLU 6DIM ENSE ensemble1 EULER   38.4   80.5   49.5 FRAC  0.49  0.36 -0.02 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   37.8   80.6   50.1 FRAC  0.49  0.86 -0.03 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.26  0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.1  139.4 FRAC  0.56  0.76 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 42 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -806.214               213.187              1019.401

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  273.0  109.1  139.8 FRAC  0.06  0.26  0.00 BFAC
    -6.71
   SOLU 6DIM ENSE ensemble1 EULER  271.4  108.1  137.3 FRAC  0.05  0.76 -0.01 BFAC
    -6.71
   SOLU 6DIM ENSE ensemble1 EULER   42.9   82.8   45.5 FRAC  0.50  0.38 -0.02 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   41.8   79.3   47.3 FRAC  0.49  0.87 -0.03 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER  274.5  106.4  141.6 FRAC  0.55  0.24 -0.00 BFAC
    -3.52
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.6  139.3 FRAC  0.55  0.73 -0.01 BFAC
    -3.52
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3617 RMSD  0.36 #VRMS  1.22

   REFINING SET #88 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.09  0.40 -0.34 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -748.847               211.947               960.795

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.6  138.8 FRAC  0.09  0.20  0.00 BFAC
    -10.18
   SOLU 6DIM ENSE ensemble1 EULER  272.3  107.5  138.9 FRAC  0.10  0.70 -0.01 BFAC
    -10.18
   SOLU 6DIM ENSE ensemble1 EULER  212.0  113.5  249.0 FRAC -0.26  0.22  0.06 BFAC
    28.77
   SOLU 6DIM ENSE ensemble1 EULER   86.8  115.9  248.3 FRAC -0.02  0.28 -0.27 BFAC
    28.77
   SOLU 6DIM ENSE ensemble1 EULER  157.2  106.8  139.3 FRAC  0.09  0.40 -0.35 BFAC 
    1.58
   SOLU 6DIM ENSE ensemble1 EULER  271.1  107.6  137.8 FRAC -0.40  0.19 -0.01 BFAC 
    1.58
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3186 RMSD  0.36 #VRMS  1.20

   REFINING SET #89 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  188.9  126.1  343.4 FRAC -0.36  0.11 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  190.0  125.1  343.3 FRAC -0.37  0.60 -0.06 BFAC
    26.98
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.70 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 36 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -841.329               196.405              1037.734

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.0  138.7 FRAC  0.10  0.20  0.00 BFAC
    -9.53
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.7  139.0 FRAC  0.10  0.70 -0.01 BFAC
    -9.53
   SOLU 6DIM ENSE ensemble1 EULER  184.1  122.3  337.3 FRAC -0.35  0.13 -0.06 BFAC
    31.07
   SOLU 6DIM ENSE ensemble1 EULER  187.6  119.4  340.3 FRAC -0.37  0.61 -0.05 BFAC
    31.07
   SOLU 6DIM ENSE ensemble1 EULER  275.5  106.7  140.2 FRAC -0.40  0.69 -0.01 BFAC
    -0.06
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.4  138.8 FRAC -0.40  0.19 -0.00 BFAC
    -0.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3599 RMSD  0.36 #VRMS  1.22

   REFINING SET #90 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.70 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 35 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -878.715               221.776              1100.491

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  138.0 FRAC  0.10  0.20 -0.00 BFAC
    -10.52
   SOLU 6DIM ENSE ensemble1 EULER  273.5  107.5  139.5 FRAC  0.11  0.70 -0.01 BFAC
    -10.52
   SOLU 6DIM ENSE ensemble1 EULER   13.9  106.3  220.3 FRAC -0.45  0.28  0.02 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER   12.1  103.7  219.9 FRAC -0.44 -0.21  0.02 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER  276.2  107.3  139.7 FRAC -0.40  0.69 -0.02 BFAC 
    2.51
   SOLU 6DIM ENSE ensemble1 EULER  274.8  108.5  137.1 FRAC -0.39  0.19 -0.01 BFAC 
    2.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2904 RMSD  0.36 #VRMS  1.19

   REFINING SET #91 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   15.9  109.4  218.6 FRAC -0.45  0.29  0.01 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER   15.0  109.6  218.0 FRAC -0.45 -0.21  0.00 BFAC
    24.28
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40 -0.30 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Iteration limit reached at cycle 50 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -859.793               221.356              1081.149

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  138.0 FRAC  0.10  0.20 -0.00 BFAC
    -9.29
   SOLU 6DIM ENSE ensemble1 EULER  273.6  107.4  139.4 FRAC  0.11  0.70 -0.01 BFAC
    -9.29
   SOLU 6DIM ENSE ensemble1 EULER   14.2  106.6  220.6 FRAC -0.46  0.28  0.02 BFAC
    28.76
   SOLU 6DIM ENSE ensemble1 EULER   12.0  103.9  219.7 FRAC -0.45 -0.21  0.02 BFAC
    28.76
   SOLU 6DIM ENSE ensemble1 EULER  275.5  108.4  137.0 FRAC -0.39  0.19 -0.01 BFAC
    -0.20
   SOLU 6DIM ENSE ensemble1 EULER  276.1  107.2  139.6 FRAC -0.40 -0.31 -0.02 BFAC
    -0.20
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2729 RMSD  0.36 #VRMS  1.19

   REFINING SET #92 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  209.3  115.1  248.5 FRAC -0.25  0.21  0.06 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER   89.1  113.6  249.3 FRAC -0.03  0.26 -0.27 BFAC
    23.01
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  152.3  106.4  139.1 FRAC  0.10  0.40 -0.34 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 26 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -738.206               211.274               949.480

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.8 FRAC  0.09  0.20  0.00 BFAC
    -8.70
   SOLU 6DIM ENSE ensemble1 EULER  272.3  107.5  138.8 FRAC  0.10  0.70 -0.01 BFAC
    -8.70
   SOLU 6DIM ENSE ensemble1 EULER  212.1  113.4  249.0 FRAC -0.26  0.22  0.06 BFAC
    29.99
   SOLU 6DIM ENSE ensemble1 EULER   86.8  116.0  248.3 FRAC -0.02  0.28 -0.27 BFAC
    29.99
   SOLU 6DIM ENSE ensemble1 EULER  271.3  107.4  138.1 FRAC -0.40  0.19 -0.01 BFAC
    -1.39
   SOLU 6DIM ENSE ensemble1 EULER  157.2  106.7  139.3 FRAC  0.09  0.40 -0.35 BFAC
    -1.39
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3216 RMSD  0.36 #VRMS  1.21

   REFINING SET #93 OF 93
   ----------------------
   Initial Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER   26.9   87.4   46.8 FRAC  0.67  0.74  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER   26.4   87.4   46.1 FRAC -0.33  0.24  0.00 BFAC
    24.76
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.60  0.70 -0.00 BFAC 
    0.00
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC -0.40  0.20 -0.01 BFAC 
    0.00
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Performing Optimization...
      Done
   --- Convergence before iteration limit (50) at cycle 49 ---
   Start-this-macrocycle End-this-macrocycle Change-this-macrocycle
        -878.130               217.715              1095.845

   Final Parameters:
   SOLU SET 
   SOLU 6DIM ENSE ensemble1 EULER  271.8  106.6  139.2 FRAC  0.10  0.21  0.00 BFAC
    -9.10
   SOLU 6DIM ENSE ensemble1 EULER  271.0  106.2  138.0 FRAC  0.11  0.71 -0.00 BFAC
    -9.10
   SOLU 6DIM ENSE ensemble1 EULER   24.1   84.6   48.1 FRAC  0.66  0.75  0.00 BFAC
    26.55
   SOLU 6DIM ENSE ensemble1 EULER   24.7   87.3   43.0 FRAC -0.35  0.24 -0.00 BFAC
    26.55
   SOLU 6DIM ENSE ensemble1 EULER  273.9  105.6  139.4 FRAC  0.60  0.68 -0.01 BFAC
    -0.21
   SOLU 6DIM ENSE ensemble1 EULER  272.3  107.3  138.0 FRAC -0.40  0.19 -0.00 BFAC
    -0.21
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3244 RMSD  0.36 #VRMS  1.21

---------------
TFZ EQUIVALENTS
---------------

   Translational NCS present
   Refined TFZ equivalent not accurate and therefore not calculated

$TABLE : Refinement After Placing Component #6 (ensemble1  2.72A) :
$GRAPHS 
:Solution Number vs LL-gain:AUTO:1,2,3: :Solution Number vs R-value:AUTO:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1     264.29    -772.44 76.89 94.96
2     251.35    -787.30 79.28 98.02
3     247.19    -768.67 77.10 95.11
4     246.52    -774.41 78.71 95.46
5     245.80    -862.70 79.13 97.31
6     244.83    -843.72 79.06 99.21
7     244.05    -670.88 78.64 93.69
8     243.01    -752.82 76.86 95.00
9     242.37    -689.24 78.85 94.24
10     241.65    -797.60 78.05 96.85
11     239.50    -859.99 78.26 98.90
12     239.02    -722.46 77.05 92.21
13     238.88    -715.38 78.77 97.41
14     238.82    -652.59 78.66 94.35
15     237.83    -721.92 77.54 92.93
16     237.64    -734.20 77.42 91.27
17     236.72    -701.88 78.12 90.66
18     236.45    -704.08 77.35 91.20
19     236.36    -797.67 79.22 96.00
20     235.27    -769.49 78.44 96.07
21     235.09    -769.10 76.06 94.22
22     233.74    -808.68 78.28 95.18
23     233.66    -797.34 77.70 96.95
24     233.43    -804.65 76.54 91.82
25     233.35    -772.58 78.89 95.45
26     232.76    -752.07 77.35 94.42
27     232.59    -827.42 77.63 97.38
28     231.62    -786.86 78.06 98.41
29     230.33    -816.58 76.98 94.85
30     228.52    -604.55 77.70 92.29
31     227.28    -626.43 78.23 87.32
32     226.11    -757.05 78.73 96.54
33     225.79    -659.26 77.20 89.27
34     225.39    -821.77 80.05 98.88
35     221.82    -797.65 76.74 94.30
36     220.61    -765.52 78.25 93.89
37     220.04    -832.11 79.18 95.13
38     216.49    -777.51 78.96 92.61
39     214.06    -770.62 77.36 99.67
40     213.84    -840.00 77.17 96.44
41     211.30    -773.90 79.56 95.67
42     209.58    -646.59 77.25 92.29
43     209.53    -657.73 78.24 92.39
44     209.47    -499.46 74.23 77.26
45     208.43    -512.46 73.89 77.73
46     206.52    -770.70 80.68 94.35
47     205.75    -586.62 75.85 80.24
48     204.51    -562.89 73.57 79.68
49     202.75    -625.90 73.09 79.28
50     201.86    -839.37 79.09 93.12
51     201.35    -589.49 73.01 79.85
52     201.27    -837.97 75.43 95.94
53     197.75    -509.87 74.88 77.76
54     197.73    -551.82 73.81 80.33
55     197.72    -549.87 75.81 78.98
56     197.59    -499.11 73.65 78.72
57     197.46    -542.14 75.65 78.45
58     196.51    -581.90 73.89 78.24
59     196.24    -624.46 73.97 78.06
60     194.23    -601.87 75.18 81.23
61     193.46    -554.91 73.67 78.07
62     192.92    -543.61 75.31 80.14
63     192.03    -595.29 73.90 79.98
64     190.78    -566.04 74.31 78.27
65     190.76    -588.99 73.35 78.54
66     190.08    -539.91 73.85 78.82
67     189.66    -558.01 74.45 79.83
68     189.00    -564.57 74.25 80.38
69     188.48    -557.46 74.93 79.50
70     186.61    -625.77 74.53 80.17
71     186.33    -598.00 74.47 79.75
72     186.21    -650.62 76.11 88.64
73     186.14    -590.03 75.85 78.82
74     184.86    -582.49 73.60 78.25
75     184.18    -776.18 76.01 95.03
76     184.04    -520.98 75.40 78.06
77     181.13    -501.56 72.49 78.64
78     179.62    -629.26 76.61 79.78
79     178.22    -590.54 75.32 78.90
80     176.46    -643.43 76.43 78.24
81     175.95    -644.58 75.00 79.62
82     172.92    -575.02 75.46 80.21
83     171.06    -707.08 73.92 96.07
84     170.06    -592.24 74.51 79.11
85     169.75    -555.27 74.34 78.91
86     169.74    -573.97 74.57 78.78
87     168.74    -572.17 74.19 79.58
88     167.84    -585.51 74.41 78.66
89     167.26    -567.77 75.45 79.69
90     156.51    -644.70 72.50 80.92
91     149.08    -793.67 75.87 91.72
92     134.24    -678.02 75.55 89.02
93     119.81    -777.64 75.44 94.77
$$
---------------
FIND DUPLICATES
---------------

   Check for nearly equivalent solutions
   Spreading calculation onto 2 threads.
   Calculating Duplicates for 93 solutions
   0%                                              100%
   |================================================| DONE

   15 duplicate solutions found

---------------------
FIND TEMPLATE MATCHES
---------------------

   No Template Solution(s) for comparison


---------------
PURGE SELECTION
---------------

   Purge solutions according to highest LLG from Refinement
   --------------------------------------------------------
   Top LLG = 264.285
   Mean LLG = -371.935
   Percent used for purge = 75%
      Cutoff for acceptance = 105.2
   Overall cutoff for acceptance (excluding high TFZ) = 119.8
   Number of solutions stored before purge = 93
   Number of solutions stored (deleted) after purge = 93 (0)

-------
RESULTS
-------

   Refinement Table (Sorted)
   -------------------------
   Refinement to full resolution
   #out =#out #in =T (Start LLG Rval TFZ) (Refined LLG Rval TFZ==) SpaceGroup  Cntrst
   Top1 ---   51         -772.4 95.0 11.2        264.3 76.9  n/a   P 31         1.021
   2    ---   65         -787.3 98.0 10.7        251.3 79.3  n/a   P 31         1.007
   3    ---   64         -768.7 95.1 10.1        247.2 77.1  n/a   P 31         1.001
   4    ---   71         -774.4 95.5 10.7        246.5 78.7  n/a   P 31         1.001
   5    ---   90         -862.7 97.3 10.4        245.8 79.1  n/a   P 31         1.001
   ---  5     91         -843.7  >99 10.4        244.8 79.1  n/a   P 31         1.001
   6    ---   81         -670.9 93.7 10.5        244.1 78.6  n/a   P 31         1.002
   7    ---   40         -752.8 95.0 10.3        243.0 76.9  n/a   P 31         1.001
   8    ---   37         -689.2 94.2 10.4        242.4 78.9  n/a   P 31         1.001
   9    ---   82         -797.6 96.9 10.5        241.6 78.0  n/a   P 32         1.004
   10   ---   93         -860.0 98.9 10.0        239.5 78.3  n/a   P 31         1.001
   11   ---   22         -722.5 92.2  9.9        239.0 77.1  n/a   P 32         1.000
   12   ---   47         -715.4 97.4 11.5        238.9 78.8  n/a   P 31         1.000
   13   ---   48         -652.6 94.3 10.3        238.8 78.7  n/a   P 31         1.002
   14   ---   92         -721.9 92.9 10.3        237.8 77.5  n/a   P 31         1.002
   ---  14    88         -734.2 91.3 10.2        237.6 77.4  n/a   P 31         1.002
   15   ---   52         -701.9 90.7 10.8        236.7 78.1  n/a   P 31         1.000
   ---  15    39         -704.1 91.2 10.8        236.5 77.4  n/a   P 31         1.000
   16   ---   77         -797.7 96.0 10.4        236.4 79.2  n/a   P 32         1.002
   17   ---   36         -769.5 96.1 10.9        235.3 78.4  n/a   P 31         1.000
   18   ---   43         -769.1 94.2  9.8        235.1 76.1  n/a   P 32         1.002
   19   ---   56         -808.7 95.2 10.4        233.7 78.3  n/a   P 32         1.001
   20   ---   68         -797.3 97.0 11.3        233.7 77.7  n/a   P 32         1.002
   21   ---   84         -804.6 91.8 10.6        233.4 76.5  n/a   P 32         1.000
   ---  19    60         -772.6 95.4 10.4        233.4 78.9  n/a   P 32         1.001
   22   ---   80         -752.1 94.4 10.2        232.8 77.3  n/a   P 31         1.002
   ---  20    58         -827.4 97.4 11.3        232.6 77.6  n/a   P 32         1.002
   23   ---   87         -786.9 98.4 10.3        231.6 78.1  n/a   P 32         1.002
   24   ---   75         -816.6 94.8 10.3        230.3 77.0  n/a   P 32         1.003
   ---  22    54         -604.5 92.3 10.2        228.5 77.7  n/a   P 31         1.002
   25   ---   62         -626.4 87.3  9.9        227.3 78.2  n/a   P 31         1.002
   26   ---   70         -757.0 96.5 11.1        226.1 78.7  n/a   P 31         1.001
   27   ---   66         -659.3 89.3  9.3        225.8 77.2  n/a   P 32         1.001
   28   ---   89         -821.8 98.9 10.1        225.4 80.0  n/a   P 31         1.000
   29   ---   61         -797.6 94.3  9.6        221.8 76.7  n/a   P 32         1.002
   30   ---   79         -765.5 93.9 10.4        220.6 78.2  n/a   P 31         1.001
   31   ---   69         -832.1 95.1 10.5        220.0 79.2  n/a   P 32         1.006
   32   ---   74         -777.5 92.6 11.0        216.5 79.0  n/a   P 32         1.004
   ---  28    83         -770.6  >99 10.1        214.1 77.4  n/a   P 31         1.000
   33   ---   85         -840.0 96.4 10.7        213.8 77.2  n/a   P 32         1.004
   34   ---   63         -773.9 95.7 10.9        211.3 79.6  n/a   P 32         1.003
   35   ---   55         -646.6 92.3 10.1        209.6 77.2  n/a   P 32         1.000
   36   ---   45         -657.7 92.4 10.3        209.5 78.2  n/a   P 32         1.000
   37   ---   9          -499.5 77.3  9.5        209.5 74.2  n/a   P 32         1.003
   ---  37    6          -512.5 77.7  9.5        208.4 73.9  n/a   P 32         1.003
   38   ---   57         -770.7 94.4 10.6        206.5 80.7  n/a   P 32         1.001
   39   ---   12         -586.6 80.2  8.9        205.8 75.9  n/a   P 31         1.002
   40   ---   10         -562.9 79.7  9.2        204.5 73.6  n/a   P 32         1.003
   41   ---   46         -625.9 79.3  8.4        202.8 73.1  n/a   P 31         1.000
   42   ---   67         -839.4 93.1  9.9        201.9 79.1  n/a   P 32         1.001
   ---  41    76         -589.5 79.8  8.2        201.3 73.0  n/a   P 31         1.000
   43   ---   53         -838.0 95.9 10.4        201.3 75.4  n/a   P 32         1.006
   44   ---   5          -509.9 77.8  9.3        197.7 74.9  n/a   P 32         1.000
   45   ---   2          -551.8 80.3 10.7        197.7 73.8  n/a   P 32         1.000
   46   ---   26         -549.9 79.0  9.5        197.7 75.8  n/a   P 31         1.002
   47   ---   18         -499.1 78.7  8.5        197.6 73.6  n/a   P 32         1.000
   ---  46    27         -542.1 78.4  9.2        197.5 75.6  n/a   P 31         1.002
   48   ---   31         -581.9 78.2  9.0        196.5 73.9  n/a   P 31         1.004
   ---  48    23         -624.5 78.1  9.0        196.2 74.0  n/a   P 31         1.004
   49   ---   17         -601.9 81.2  9.7        194.2 75.2  n/a   P 32         1.001
   50   ---   32         -554.9 78.1  8.9        193.5 73.7  n/a   P 31         1.001
   51   ---   3          -543.6 80.1 10.7        192.9 75.3  n/a   P 32         1.002
   52   ---   19         -595.3 80.0  9.9        192.0 73.9  n/a   P 32         1.002
   53   ---   49         -566.0 78.3  9.0        190.8 74.3  n/a   P 32         1.000
   ---  50    38         -589.0 78.5  8.8        190.8 73.4  n/a   P 31         1.001
   54   ---   4          -539.9 78.8  8.8        190.1 73.8  n/a   P 31         1.001
   55   ---   35         -558.0 79.8  8.8        189.7 74.4  n/a   P 31         1.001
   56   ---   7          -564.6 80.4  9.0        189.0 74.2  n/a   P 31         1.001
   57   ---   1          -557.5 79.5  9.0        188.5 74.9  n/a   P 31         1.003
   ---  55    42         -625.8 80.2  8.7        186.6 74.5  n/a   P 31         1.001
   58   ---   30         -598.0 79.8  8.1        186.3 74.5  n/a   P 31         1.000
   59   ---   72         -650.6 88.6 10.4        186.2 76.1  n/a   P 31         1.000
   60   ---   33         -590.0 78.8  9.1        186.1 75.8  n/a   P 32         1.002
   61   ---   11         -582.5 78.2  8.5        184.9 73.6  n/a   P 32         1.001
   62   ---   86         -776.2 95.0 10.5        184.2 76.0  n/a   P 32         1.000
   63   ---   8          -521.0 78.1  9.4        184.0 75.4  n/a   P 32         1.005
   64   ---   25         -501.6 78.6  8.2        181.1 72.5  n/a   P 31         1.003
   65   ---   21         -629.3 79.8  9.1        179.6 76.6  n/a   P 32         1.001
   66   ---   16         -590.5 78.9  9.6        178.2 75.3  n/a   P 32         1.006
   ---  65    13         -643.4 78.2  9.0        176.5 76.4  n/a   P 32         1.001
   ---  66    29         -644.6 79.6  9.6        175.9 75.0  n/a   P 32         1.006
   67   ---   15         -575.0 80.2  8.4        172.9 75.5  n/a   P 31         1.003
   68   ---   28         -707.1 96.1 11.3        171.1 73.9  n/a   P 31         1.002
   69   ---   20         -592.2 79.1  9.6        170.1 74.5  n/a   P 31         1.001
   70   ---   50         -555.3 78.9  9.6        169.8 74.3  n/a   P 31         1.000
   71   ---   41         -574.0 78.8  8.3        169.7 74.6  n/a   P 31         1.002
   72   ---   44         -572.2 79.6  9.7        168.7 74.2  n/a   P 31         1.002
   73   ---   14         -585.5 78.7  9.6        167.8 74.4  n/a   P 31         1.001
   74   ---   24         -567.8 79.7  8.2        167.3 75.4  n/a   P 31         1.020
   75   ---   34         -644.7 80.9  8.5        156.5 72.5  n/a   P 31         1.014
   76   ---   73         -793.7 91.7  9.7        149.1 75.9  n/a   P 32         1.029
   77   ---   59         -678.0 89.0  9.6        134.2 75.5  n/a   P 32         1.029
   78   ---   78         -777.6 94.8 10.8        119.8 75.4  n/a   P 32          n/a 

   Refinement Table (Variance Ranges)
   ----------------------------------
   Range of delta-VRMS and VRMS given over current solution list (93 solution(s))
   Ensemble        Model#   RMS   Delta-VRMS min/max  (VRMS min/max)
   ensemble1            1   0.362   +1.244/+1.686    ( 1.173/ 1.348 )


------------
OUTPUT FILES
------------

   A sharpening B-factor of 100% of the isotropic B-factor in the direction of
   smallest falloff (i.e. highest resolution) has been added to the anisotropically
   corrected structure factors (FWT,DELFWT)

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.2  106.9  138.0 FRAC  0.10  0.20  0.00 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.7  138.8 FRAC  0.10  0.70 -0.01 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER   19.0  103.4  225.1 FRAC -0.35  0.00 -0.08 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER   15.5  104.9  218.1 FRAC -0.35  0.49 -0.09 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER  156.5  106.0  139.7 FRAC  0.09  0.40 -0.35 BFAC 
    5.17
   SOLU 6DIM ENSE ensemble1 EULER  271.9  107.5  137.1 FRAC -0.40  0.19 -0.00 BFAC 
    5.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2438 RMSD  0.36 #VRMS  1.17
   SOLU PACKS FALSE

   No files output


CPU Time: 0 days 0 hrs 39 mins 25.02 secs (   2365.02 secs)
Finished: Thu Apr 21 18:11:06 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** Solutions with high TFZ rejected due to clashes
** Occupancies will be refined

CPU Time: 0 days 0 hrs 39 mins 25.02 secs (   2365.02 secs)
Finished: Thu Apr 21 18:11:06 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT MODEL PRUNING                      2.6.1 ***
*************************************************************************************


-----------------
TRANSLATIONAL NCS
-----------------

   tNCS vector = 0.000266976 0.500474 -0.00692267
   tNCS NMOL   = 2

-------------------------------
DATA FOR REFINEMENT AND PHASING
-------------------------------

   Outliers with a probability less than 1e-06 will be rejected
   There were 296 (3.1597%) reflections rejected

      H    K    L   reso     Eo^2    sigma     probability
      6   12  -18   2.73   -0.967    0.178       7.792e-10
      2    1   34   2.74   -0.271    0.069       7.080e-07
      4   13  -19   2.74   -1.746    0.294       6.081e-11
      5    8  -27   2.75   -0.729    0.145       6.886e-09
      8    5  -27   2.75   -0.807    0.175       6.772e-08
     13    2  -22   2.75   -0.972    0.152       1.580e-12
     13    2   22   2.75   -0.609    0.146       4.393e-07
     10    8  -18   2.76   -0.907    0.158       1.100e-10
      4    7  -29   2.76   -0.399    0.085       1.901e-08
      7    4  -29   2.76   -0.563    0.105       7.324e-10
     10    3  -26   2.77   -0.709    0.147       1.964e-08
      1    8  -30   2.77   -0.469    0.081       4.157e-11
      8    1  -30   2.77   -0.744    0.086       0.000e+00
      1    8   30   2.77   -0.436    0.071       4.424e-12
      0   11   27   2.78   -0.535    0.124       1.918e-07
      4   13  -18   2.79   -1.363    0.253       1.501e-09
     13    4  -18   2.79   -1.073    0.199       1.092e-09
      2    7  -30   2.80   -0.346    0.062       1.573e-10
      7    2  -30   2.80   -0.687    0.094       2.003e-15
      7    2   30   2.80   -0.462    0.070       1.538e-13
   More than 20 OUTLIER.LIST (see VERBOSE output)


   Resolution of All Data (Number):        2.72  34.48 (9368)
   Resolution of Selected Data (Number):   2.72  34.48 (9072)
   Translational NCS:
      Vector =  0.0003  0.5005 -0.0069
      Rotation =  0.0205 -0.0183  0.0005
      D values (lores-hires)=  0.9999- 0.4711


-------------------
WILSON DISTRIBUTION
-------------------

   Parameters set for Wilson log-likelihood calculation
   E = 0 and variance 1 for each reflection
   Without correction for SigF to the variances,
      Wilson log(likelihood) = - number of acentrics (9072)
                               - half number of centrics (0/2)
                             = -9072
   With correction for SigF,
      Wilson log(likelihood) = -7830.15

----------
ENSEMBLING
----------

   Ensemble Generation: ensemble1
   ------------------------------
   Ensemble configured for structure factor interpolation
   Ensemble configured to resolution  2.72
   PDB file # 1: 2N2D-model1.pdb
      This pdb file contains 1 model
      The input RmsD of model #1 with respect to the real structure is  0.36

   Electron Density Calculation
   0%      100%
   |=======| DONE

   VRMS delta lower/upper limit = 0.317145 / 4.279548
      RMSD upper limit(s):  2.10
      RMSD lower limit(s):  0.67

   Ensemble Generation Table
   -------------------------
   Resolution of Ensembles: 2.72174
   Ensemble        Scat% Radius Model# Rel-B Input-RMS Initial-Delta-VRMS Initial-RMS
   ensemble1        16.5  12.66      1  43.5     0.362              0.317       0.670

---------------------------------
OCCUPANCY REFINEMENT SET #1 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.6 +TNCS PAK=8 LLG=1
    RF++ TFZ=11.2 +TNCS PAK=143 LLG=264
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.2  106.9  138.0 FRAC  0.10  0.20  0.00 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.7  138.8 FRAC  0.10  0.70 -0.01 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER   19.0  103.4  225.1 FRAC -0.35  0.00 -0.08 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER   15.5  104.9  218.1 FRAC -0.35  0.49 -0.09 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER  156.5  106.0  139.7 FRAC  0.09  0.40 -0.35 BFAC 
    5.17
   SOLU 6DIM ENSE ensemble1 EULER  271.9  107.5  137.1 FRAC -0.40  0.19 -0.00 BFAC 
    5.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2438 RMSD  0.36 #VRMS  1.17
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 264.285

---------------------------------
OCCUPANCY REFINEMENT SET #2 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
    RF++ TFZ=10.7 +TNCS PAK=484 LLG=251
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.6  138.6 FRAC  0.10  0.21  0.01 BFAC
    -7.72
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.2  138.2 FRAC  0.10  0.70 -0.00 BFAC
    -7.72
   SOLU 6DIM ENSE ensemble1 EULER   40.0   75.0   40.7 FRAC  0.68  0.72  0.00 BFAC
    24.93
   SOLU 6DIM ENSE ensemble1 EULER   37.5   76.7   39.4 FRAC -0.34  0.20 -0.00 BFAC
    24.93
   SOLU 6DIM ENSE ensemble1 EULER  272.7  108.2  138.8 FRAC -0.40  0.19 -0.00 BFAC
    -2.19
   SOLU 6DIM ENSE ensemble1 EULER  275.0  106.6  140.0 FRAC  0.60  0.69 -0.01 BFAC
    -2.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2810 RMSD  0.36 #VRMS  1.19
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 251.348

---------------------------------
OCCUPANCY REFINEMENT SET #3 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10
    LLG=-11 RF++ TFZ=10.1 +TNCS PAK=243 LLG=247
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  276.1  106.7  138.1 FRAC  0.14  0.06 -0.00 BFAC
    -10.84
   SOLU 6DIM ENSE ensemble1 EULER  274.0  105.1  137.6 FRAC  0.15  0.56 -0.01 BFAC
    -10.84
   SOLU 6DIM ENSE ensemble1 EULER  199.6  125.1  354.7 FRAC -0.26 -0.04  0.10 BFAC
    28.62
   SOLU 6DIM ENSE ensemble1 EULER  188.3  132.5  357.3 FRAC -0.23  0.48  0.10 BFAC
    28.62
   SOLU 6DIM ENSE ensemble1 EULER  274.5  104.6  136.4 FRAC -0.35  0.06 -0.01 BFAC 
    3.19
   SOLU 6DIM ENSE ensemble1 EULER  277.1  108.4  139.1 FRAC -0.35  0.56 -0.01 BFAC 
    3.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2953 RMSD  0.36 #VRMS  1.19
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 247.186

---------------------------------
OCCUPANCY REFINEMENT SET #4 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0 LLG=-6
    RF++ TFZ=10.7 +TNCS PAK=383 LLG=247
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.2  138.8 FRAC  0.10  0.20  0.00 BFAC
    -8.65
   SOLU 6DIM ENSE ensemble1 EULER  271.1  107.1  137.1 FRAC  0.11  0.71 -0.00 BFAC
    -8.65
   SOLU 6DIM ENSE ensemble1 EULER   29.6   88.9   49.0 FRAC -0.36  0.15  0.06 BFAC
    27.37
   SOLU 6DIM ENSE ensemble1 EULER  271.9   93.1   48.8 FRAC  0.01  0.37 -0.28 BFAC
    27.37
   SOLU 6DIM ENSE ensemble1 EULER  155.3  106.5  140.3 FRAC  0.09  0.40 -0.34 BFAC
    -1.13
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.3  139.3 FRAC -0.40  0.19 -0.00 BFAC
    -1.13
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3318 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 246.518

---------------------------------
OCCUPANCY REFINEMENT SET #5 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.8 +TNCS PAK=2 LLG=3
    RF++ TFZ=10.3 +TNCS PAK=419 LLG=246
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  138.0 FRAC  0.10  0.20 -0.00 BFAC
    -10.52
   SOLU 6DIM ENSE ensemble1 EULER  273.5  107.5  139.5 FRAC  0.11  0.70 -0.01 BFAC
    -10.52
   SOLU 6DIM ENSE ensemble1 EULER   13.9  106.3  220.3 FRAC -0.45  0.28  0.02 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER   12.1  103.7  219.9 FRAC -0.44 -0.21  0.02 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER  276.2  107.3  139.7 FRAC -0.40  0.69 -0.02 BFAC 
    2.51
   SOLU 6DIM ENSE ensemble1 EULER  274.8  108.5  137.1 FRAC -0.39  0.19 -0.01 BFAC 
    2.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2904 RMSD  0.36 #VRMS  1.19
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 245.798

---------------------------------
OCCUPANCY REFINEMENT SET #6 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2 LLG=-10
    RF++ TFZ=10.5 +TNCS PAK=387 LLG=244
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.0  138.8 FRAC  0.10  0.20  0.00 BFAC
    -9.41
   SOLU 6DIM ENSE ensemble1 EULER  271.4  105.5  137.9 FRAC  0.10  0.70 -0.01 BFAC
    -9.41
   SOLU 6DIM ENSE ensemble1 EULER  188.0  129.1  345.3 FRAC  0.43  0.18  0.04 BFAC
    28.09
   SOLU 6DIM ENSE ensemble1 EULER  188.7  128.0  346.1 FRAC  0.44  0.69  0.05 BFAC
    28.09
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.0  137.0 FRAC  0.60  0.19 -0.00 BFAC 
    0.12
   SOLU 6DIM ENSE ensemble1 EULER  275.3  107.1  139.7 FRAC  0.60  0.69 -0.01 BFAC 
    0.12
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3146 RMSD  0.36 #VRMS  1.20
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 244.053

---------------------------------
OCCUPANCY REFINEMENT SET #7 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10
    LLG=-11 RF++ TFZ=10.3 +TNCS PAK=252 LLG=243
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.9  139.3 FRAC  0.15  0.05 -0.00 BFAC
    -10.70
   SOLU 6DIM ENSE ensemble1 EULER  271.9  108.7  141.9 FRAC  0.15  0.55 -0.02 BFAC
    -10.70
   SOLU 6DIM ENSE ensemble1 EULER  193.7  128.3  352.9 FRAC -0.25 -0.04  0.10 BFAC
    25.34
   SOLU 6DIM ENSE ensemble1 EULER  189.2  131.8  353.1 FRAC -0.23  0.48  0.10 BFAC
    25.34
   SOLU 6DIM ENSE ensemble1 EULER  270.6  109.8  139.8 FRAC -0.35  0.57 -0.00 BFAC 
    3.50
   SOLU 6DIM ENSE ensemble1 EULER  271.8  108.6  141.4 FRAC -0.35  0.06 -0.00 BFAC 
    3.50
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3028 RMSD  0.36 #VRMS  1.20
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 243.013

---------------------------------
OCCUPANCY REFINEMENT SET #8 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4 LLG=-8
    RF++ TFZ=10.4 +TNCS PAK=319 LLG=242
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.3  139.0 FRAC  0.10  0.21  0.00 BFAC
    -8.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.8  139.2 FRAC  0.11  0.71 -0.01 BFAC
    -8.87
   SOLU 6DIM ENSE ensemble1 EULER   29.3   96.9  230.0 FRAC -0.36  0.12  0.07 BFAC
    28.68
   SOLU 6DIM ENSE ensemble1 EULER  269.0   95.0  228.0 FRAC -0.02  0.36 -0.26 BFAC
    28.68
   SOLU 6DIM ENSE ensemble1 EULER  155.7  107.1  139.7 FRAC  0.09  0.40 -0.34 BFAC
    -0.94
   SOLU 6DIM ENSE ensemble1 EULER  271.4  106.9  138.4 FRAC -0.40  0.19 -0.01 BFAC
    -0.94
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3305 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 242.367

---------------------------------
OCCUPANCY REFINEMENT SET #9 OF 78
---------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13 LLG=-7
    RF++ TFZ=10.5 +TNCS PAK=391 LLG=242
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  270.9  107.8  139.4 FRAC  0.07  0.27 -0.00 BFAC
    -5.03
   SOLU 6DIM ENSE ensemble1 EULER  268.3  109.1  137.7 FRAC  0.07  0.77 -0.00 BFAC
    -5.03
   SOLU 6DIM ENSE ensemble1 EULER   45.4   79.7   43.5 FRAC  0.49  0.37 -0.02 BFAC
    24.06
   SOLU 6DIM ENSE ensemble1 EULER   44.0   74.4   43.0 FRAC  0.48  0.86 -0.02 BFAC
    24.06
   SOLU 6DIM ENSE ensemble1 EULER  272.1  108.4  140.4 FRAC  0.57  0.75 -0.01 BFAC
    -5.28
   SOLU 6DIM ENSE ensemble1 EULER  273.0  106.2  141.4 FRAC  0.56  0.25 -0.00 BFAC
    -5.28
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3535 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 241.645

----------------------------------
OCCUPANCY REFINEMENT SET #10 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
    RF++ TFZ=10.0 +TNCS PAK=479 LLG=239
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.8  106.6  139.2 FRAC  0.10  0.21  0.00 BFAC
    -9.10
   SOLU 6DIM ENSE ensemble1 EULER  271.0  106.2  138.0 FRAC  0.11  0.71 -0.00 BFAC
    -9.10
   SOLU 6DIM ENSE ensemble1 EULER   24.1   84.6   48.1 FRAC  0.66  0.75  0.00 BFAC
    26.55
   SOLU 6DIM ENSE ensemble1 EULER   24.7   87.3   43.0 FRAC -0.35  0.24 -0.00 BFAC
    26.55
   SOLU 6DIM ENSE ensemble1 EULER  273.9  105.6  139.4 FRAC  0.60  0.68 -0.01 BFAC
    -0.21
   SOLU 6DIM ENSE ensemble1 EULER  272.3  107.3  138.0 FRAC -0.40  0.19 -0.00 BFAC
    -0.21
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3244 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 239.5

----------------------------------
OCCUPANCY REFINEMENT SET #11 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RFZ=3.5 TFZ=5.5 +TNCS PAK=2 LLG=-2
    RF++ TFZ=9.9 +TNCS PAK=491 LLG=239
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.8  138.1 FRAC  0.22  0.09 -0.00 BFAC
    -10.09
   SOLU 6DIM ENSE ensemble1 EULER  271.7  107.9  142.2 FRAC  0.23  0.59 -0.01 BFAC
    -10.09
   SOLU 6DIM ENSE ensemble1 EULER   27.6   89.1   34.4 FRAC -0.19  0.17 -0.00 BFAC
    26.76
   SOLU 6DIM ENSE ensemble1 EULER   26.2   94.6   29.6 FRAC -0.21 -0.35  0.00 BFAC
    26.76
   SOLU 6DIM ENSE ensemble1 EULER  269.2  107.9  139.4 FRAC -0.28  0.11  0.01 BFAC 
    1.73
   SOLU 6DIM ENSE ensemble1 EULER  271.3  104.9  140.6 FRAC -0.27 -0.40 -0.00 BFAC 
    1.73
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3935 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 239.025

----------------------------------
OCCUPANCY REFINEMENT SET #12 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0 LLG=-6
    RF++ TFZ=11.5 +TNCS PAK=375 LLG=239
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.0  106.3  138.6 FRAC  0.10  0.20  0.00 BFAC
    -7.65
   SOLU 6DIM ENSE ensemble1 EULER  273.0  107.1  139.1 FRAC  0.11  0.70 -0.01 BFAC
    -7.65
   SOLU 6DIM ENSE ensemble1 EULER   31.0   99.5   29.0 FRAC -0.37  0.12  0.06 BFAC
    27.51
   SOLU 6DIM ENSE ensemble1 EULER  267.4   93.7   55.5 FRAC -0.04  0.34 -0.27 BFAC
    27.51
   SOLU 6DIM ENSE ensemble1 EULER  274.2  109.2  140.0 FRAC -0.39  0.19 -0.00 BFAC
    -2.66
   SOLU 6DIM ENSE ensemble1 EULER  155.6  106.9  140.6 FRAC  0.08  0.39 -0.35 BFAC
    -2.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3160 RMSD  0.36 #VRMS  1.20
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 238.877

----------------------------------
OCCUPANCY REFINEMENT SET #13 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4 LLG=-8
    RF++ TFZ=10.3 +TNCS PAK=320 LLG=239
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.0  138.9 FRAC  0.10  0.21  0.00 BFAC
    -8.12
   SOLU 6DIM ENSE ensemble1 EULER  273.0  106.8  138.9 FRAC  0.11  0.71 -0.01 BFAC
    -8.12
   SOLU 6DIM ENSE ensemble1 EULER   29.2   95.9  229.4 FRAC -0.35  0.12  0.07 BFAC
    27.32
   SOLU 6DIM ENSE ensemble1 EULER  268.4   94.6  228.3 FRAC -0.02  0.36 -0.26 BFAC
    27.32
   SOLU 6DIM ENSE ensemble1 EULER  271.6  106.5  138.3 FRAC -0.40  0.19 -0.01 BFAC
    -1.96
   SOLU 6DIM ENSE ensemble1 EULER  156.1  106.6  139.8 FRAC  0.09  0.40 -0.35 BFAC
    -1.96
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3442 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 238.819

----------------------------------
OCCUPANCY REFINEMENT SET #14 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.3 +TNCS PAK=1 LLG=4
    RF++ TFZ=10.3 +TNCS PAK=331 LLG=238
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  105.5  138.8 FRAC  0.09  0.20  0.00 BFAC
    -8.70
   SOLU 6DIM ENSE ensemble1 EULER  272.3  107.5  138.8 FRAC  0.10  0.70 -0.01 BFAC
    -8.70
   SOLU 6DIM ENSE ensemble1 EULER  212.1  113.4  249.0 FRAC -0.26  0.22  0.06 BFAC
    29.99
   SOLU 6DIM ENSE ensemble1 EULER   86.8  116.0  248.3 FRAC -0.02  0.28 -0.27 BFAC
    29.99
   SOLU 6DIM ENSE ensemble1 EULER  271.3  107.4  138.1 FRAC -0.40  0.19 -0.01 BFAC
    -1.39
   SOLU 6DIM ENSE ensemble1 EULER  157.2  106.7  139.3 FRAC  0.09  0.40 -0.35 BFAC
    -1.39
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3216 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 237.833

----------------------------------
OCCUPANCY REFINEMENT SET #15 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=4.7 +TNCS PAK=0 LLG=-6
    RF++ TFZ=10.7 +TNCS PAK=375 LLG=237
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.6  104.4  135.9 FRAC  0.33  0.52 -0.00 BFAC
    -7.71
   SOLU 6DIM ENSE ensemble1 EULER  273.7  106.1  139.2 FRAC  0.33  1.02 -0.01 BFAC
    -7.71
   SOLU 6DIM ENSE ensemble1 EULER  195.5  129.3  357.6 FRAC -0.13  0.43 -0.04 BFAC
    25.43
   SOLU 6DIM ENSE ensemble1 EULER  194.2  131.6  353.3 FRAC -0.14  0.92 -0.04 BFAC
    25.43
   SOLU 6DIM ENSE ensemble1 EULER  274.7  103.6  136.4 FRAC -0.17  1.01 -0.01 BFAC
    -2.29
   SOLU 6DIM ENSE ensemble1 EULER  276.3  107.3  138.6 FRAC -0.17  0.51 -0.02 BFAC
    -2.29
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3463 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 236.724

----------------------------------
OCCUPANCY REFINEMENT SET #16 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=6.3 +TNCS PAK=0 LLG=-3
    RF++ TFZ=10.4 +TNCS PAK=504 LLG=236
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.3  109.7  140.7 FRAC  0.06  0.26  0.00 BFAC
    -6.12
   SOLU 6DIM ENSE ensemble1 EULER  275.7  107.3  141.8 FRAC  0.06  0.75 -0.00 BFAC
    -6.12
   SOLU 6DIM ENSE ensemble1 EULER   32.4   92.1   43.7 FRAC  0.61  0.79 -0.01 BFAC
    28.34
   SOLU 6DIM ENSE ensemble1 EULER   31.6   92.6   43.7 FRAC -0.37  0.30 -0.01 BFAC
    28.34
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.7  139.6 FRAC -0.44  0.26  0.01 BFAC
    -4.67
   SOLU 6DIM ENSE ensemble1 EULER  271.2  108.0  141.9 FRAC  0.57  0.76  0.00 BFAC
    -4.67
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3482 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 236.357

----------------------------------
OCCUPANCY REFINEMENT SET #17 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.3 +TNCS PAK=0 LLG=-11
    RF++ TFZ=10.9 +TNCS PAK=590 LLG=235
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.2  138.6 FRAC  0.10  0.20  0.00 BFAC
    -9.21
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.2  138.1 FRAC  0.10  0.70 -0.01 BFAC
    -9.21
   SOLU 6DIM ENSE ensemble1 EULER   16.7  105.3  222.5 FRAC -0.45  0.17  0.02 BFAC
    25.15
   SOLU 6DIM ENSE ensemble1 EULER  257.3  103.5  223.4 FRAC  0.12  0.45 -0.32 BFAC
    25.15
   SOLU 6DIM ENSE ensemble1 EULER  156.5  107.2  139.5 FRAC  0.08  0.40 -0.34 BFAC 
    0.24
   SOLU 6DIM ENSE ensemble1 EULER  273.7  108.5  137.2 FRAC -0.40  0.19 -0.00 BFAC 
    0.24
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3893 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 235.273

----------------------------------
OCCUPANCY REFINEMENT SET #18 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RFZ=3.5 TFZ=5.5 +TNCS PAK=2 LLG=-2
    RF++ TFZ=9.8 +TNCS PAK=490 LLG=235
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  274.4  109.1  140.9 FRAC  0.24  0.09  0.00 BFAC
    -6.79
   SOLU 6DIM ENSE ensemble1 EULER  275.2  108.3  142.2 FRAC  0.23  0.58 -0.01 BFAC
    -6.79
   SOLU 6DIM ENSE ensemble1 EULER   16.2   74.6   38.9 FRAC -0.21  0.10  0.00 BFAC
    27.49
   SOLU 6DIM ENSE ensemble1 EULER   37.9   87.2   42.1 FRAC -0.20 -0.34 -0.02 BFAC
    27.49
   SOLU 6DIM ENSE ensemble1 EULER  274.5  109.8  140.7 FRAC -0.27 -0.40 -0.00 BFAC
    -3.87
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.3  139.2 FRAC -0.26  0.10  0.00 BFAC
    -3.87
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3292 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 235.088

----------------------------------
OCCUPANCY REFINEMENT SET #19 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=5.2 +TNCS PAK=2 LLG=1
    RF++ TFZ=10.3 +TNCS PAK=498 LLG=234
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  278.0  107.7  139.8 FRAC  0.06  0.25 -0.00 BFAC
    -2.75
   SOLU 6DIM ENSE ensemble1 EULER  275.6  107.2  142.3 FRAC  0.05  0.75 -0.01 BFAC
    -2.75
   SOLU 6DIM ENSE ensemble1 EULER   30.5   91.8   43.7 FRAC -0.37  0.29 -0.02 BFAC
    24.44
   SOLU 6DIM ENSE ensemble1 EULER   33.9   93.5   47.2 FRAC -0.38 -0.21 -0.01 BFAC
    24.44
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.5  141.3 FRAC -0.44 -0.25 -0.00 BFAC
    -7.27
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.7  139.1 FRAC -0.45  0.25  0.01 BFAC
    -7.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3415 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 233.743

----------------------------------
OCCUPANCY REFINEMENT SET #20 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=4.8 +TNCS PAK=0 LLG=-8
    RF++ TFZ=11.1 +TNCS PAK=357 LLG=234
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  275.0  103.8  136.4 FRAC  0.13  0.70  0.00 BFAC
    -10.39
   SOLU 6DIM ENSE ensemble1 EULER  276.0  106.7  140.4 FRAC  0.13  1.20 -0.00 BFAC
    -10.39
   SOLU 6DIM ENSE ensemble1 EULER   30.5   86.4   48.0 FRAC -0.34  0.59  0.06 BFAC
    25.46
   SOLU 6DIM ENSE ensemble1 EULER   31.3   91.2   48.1 FRAC -0.33  1.10  0.05 BFAC
    25.46
   SOLU 6DIM ENSE ensemble1 EULER  272.1  105.7  138.2 FRAC -0.36  0.72  0.01 BFAC 
    2.71
   SOLU 6DIM ENSE ensemble1 EULER  273.0  104.3  138.3 FRAC -0.37  1.21  0.00 BFAC 
    2.71
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3113 RMSD  0.36 #VRMS  1.20
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 233.658

----------------------------------
OCCUPANCY REFINEMENT SET #21 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=16 LLG=-5
    RF++ TFZ=10.6 +TNCS PAK=265 LLG=233
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.6  139.0 FRAC  0.14  0.69  0.00 BFAC
    -9.45
   SOLU 6DIM ENSE ensemble1 EULER  274.8  107.8  141.5 FRAC  0.14  1.18 -0.00 BFAC
    -9.45
   SOLU 6DIM ENSE ensemble1 EULER  283.3   69.0   39.4 FRAC  0.45  1.19  0.27 BFAC
    27.89
   SOLU 6DIM ENSE ensemble1 EULER   40.8   74.9   43.6 FRAC -0.19  0.76 -0.07 BFAC
    27.89
   SOLU 6DIM ENSE ensemble1 EULER  277.0  109.1  142.5 FRAC  0.63  1.17 -0.01 BFAC 
    0.23
   SOLU 6DIM ENSE ensemble1 EULER  274.6  109.7  140.8 FRAC -0.36  0.68 -0.00 BFAC 
    0.23
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2764 RMSD  0.36 #VRMS  1.19
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 233.433

----------------------------------
OCCUPANCY REFINEMENT SET #22 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.8 +TNCS PAK=3 LLG=-3
    RF++ TFZ=9.9 +TNCS PAK=584 LLG=233
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.6  105.4  138.1 FRAC  0.10  0.21  0.01 BFAC
    -7.04
   SOLU 6DIM ENSE ensemble1 EULER  271.9  106.0  136.9 FRAC  0.10  0.70 -0.01 BFAC
    -7.04
   SOLU 6DIM ENSE ensemble1 EULER  130.1   73.2   43.9 FRAC -0.34  0.27  0.02 BFAC
    26.59
   SOLU 6DIM ENSE ensemble1 EULER  136.2   75.5   39.9 FRAC -0.34 -0.23  0.03 BFAC
    26.59
   SOLU 6DIM ENSE ensemble1 EULER  274.9  105.7  138.5 FRAC  0.60  0.69 -0.01 BFAC
    -3.36
   SOLU 6DIM ENSE ensemble1 EULER  271.3  105.7  136.6 FRAC  0.60  0.19 -0.00 BFAC
    -3.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3298 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 232.764

----------------------------------
OCCUPANCY REFINEMENT SET #23 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13 LLG=-7
    RF++ TFZ=10.3 +TNCS PAK=381 LLG=232
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  109.1  139.8 FRAC  0.06  0.26  0.00 BFAC
    -6.71
   SOLU 6DIM ENSE ensemble1 EULER  271.4  108.1  137.3 FRAC  0.05  0.76 -0.01 BFAC
    -6.71
   SOLU 6DIM ENSE ensemble1 EULER   42.9   82.8   45.5 FRAC  0.50  0.38 -0.02 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER   41.8   79.3   47.3 FRAC  0.49  0.87 -0.03 BFAC
    24.72
   SOLU 6DIM ENSE ensemble1 EULER  274.5  106.4  141.6 FRAC  0.55  0.24 -0.00 BFAC
    -3.52
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.6  139.3 FRAC  0.55  0.73 -0.01 BFAC
    -3.52
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3617 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 231.617

----------------------------------
OCCUPANCY REFINEMENT SET #24 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=5.5 +TNCS PAK=3 LLG=4
    RF++ TFZ=10.3 +TNCS PAK=439 LLG=230
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.2  107.2  139.9 FRAC  0.09  0.44 -0.00 BFAC
    -9.64
   SOLU 6DIM ENSE ensemble1 EULER  273.0  107.0  139.2 FRAC  0.09  0.93 -0.01 BFAC
    -9.64
   SOLU 6DIM ENSE ensemble1 EULER  352.4  158.8  347.4 FRAC -0.33  0.38 -0.01 BFAC
    33.58
   SOLU 6DIM ENSE ensemble1 EULER  336.4  160.4  348.2 FRAC -0.37  0.83 -0.04 BFAC
    33.58
   SOLU 6DIM ENSE ensemble1 EULER  269.7  105.9  137.2 FRAC -0.40  0.95  0.00 BFAC
    -0.13
   SOLU 6DIM ENSE ensemble1 EULER  270.3  105.7  139.9 FRAC -0.41  0.45 -0.00 BFAC
    -0.13
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2906 RMSD  0.36 #VRMS  1.19
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 230.326

----------------------------------
OCCUPANCY REFINEMENT SET #25 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=5.0 +TNCS PAK=5 LLG=2
    RF++ TFZ=9.9 +TNCS PAK=351 LLG=227
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.4  104.6  136.7 FRAC  0.33  0.52 -0.00 BFAC
    -5.66
   SOLU 6DIM ENSE ensemble1 EULER  272.6  104.5  137.4 FRAC  0.32  1.01 -0.01 BFAC
    -5.66
   SOLU 6DIM ENSE ensemble1 EULER  194.5  128.9  352.8 FRAC -0.22  0.66 -0.00 BFAC
    24.40
   SOLU 6DIM ENSE ensemble1 EULER  192.7  132.9  352.4 FRAC -0.20  0.17 -0.01 BFAC
    24.40
   SOLU 6DIM ENSE ensemble1 EULER  272.6  103.9  136.9 FRAC -0.18  0.50 -0.00 BFAC
    -4.68
   SOLU 6DIM ENSE ensemble1 EULER  276.8  106.2  138.6 FRAC -0.18 -0.01 -0.01 BFAC
    -4.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3631 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 227.284

----------------------------------
OCCUPANCY REFINEMENT SET #26 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.6 +TNCS PAK=8 LLG=1
    RF++ TFZ=11.1 +TNCS PAK=146 LLG=226
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.1  139.1 FRAC  0.11  0.20  0.00 BFAC
    -6.92
   SOLU 6DIM ENSE ensemble1 EULER  272.5  107.5  138.2 FRAC  0.11  0.69 -0.01 BFAC
    -6.92
   SOLU 6DIM ENSE ensemble1 EULER   14.6  102.7  218.6 FRAC -0.35 -0.04 -0.08 BFAC
    24.17
   SOLU 6DIM ENSE ensemble1 EULER   18.8  107.8  219.6 FRAC -0.35  0.46 -0.07 BFAC
    24.17
   SOLU 6DIM ENSE ensemble1 EULER  275.8  109.5  140.4 FRAC -0.39  0.19 -0.01 BFAC
    -3.16
   SOLU 6DIM ENSE ensemble1 EULER  155.1  107.1  139.6 FRAC  0.08  0.39 -0.35 BFAC
    -3.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3706 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 226.114

----------------------------------
OCCUPANCY REFINEMENT SET #27 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2 LLG=-5
    RF++ TFZ=9.3 +TNCS PAK=365 LLG=226
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  277.1  104.1  134.4 FRAC  0.03  0.56  0.00 BFAC
    -6.46
   SOLU 6DIM ENSE ensemble1 EULER  278.7  105.8  138.3 FRAC  0.04  1.06 -0.00 BFAC
    -6.46
   SOLU 6DIM ENSE ensemble1 EULER  190.6  125.7  344.8 FRAC -0.50  0.69 -0.02 BFAC
    22.08
   SOLU 6DIM ENSE ensemble1 EULER  193.7  122.4  346.5 FRAC -0.52  0.18 -0.03 BFAC
    22.08
   SOLU 6DIM ENSE ensemble1 EULER  274.8  104.4  136.1 FRAC -0.46  0.58  0.01 BFAC
    -3.36
   SOLU 6DIM ENSE ensemble1 EULER  275.8  103.7  136.0 FRAC -0.47  0.07  0.00 BFAC
    -3.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3766 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 225.79

----------------------------------
OCCUPANCY REFINEMENT SET #28 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.0 +TNCS PAK=2 LLG=-11
    RF++ TFZ=9.7 +TNCS PAK=380 LLG=225
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.0  138.7 FRAC  0.10  0.20  0.00 BFAC
    -9.53
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.7  139.0 FRAC  0.10  0.70 -0.01 BFAC
    -9.53
   SOLU 6DIM ENSE ensemble1 EULER  184.1  122.3  337.3 FRAC -0.35  0.13 -0.06 BFAC
    31.07
   SOLU 6DIM ENSE ensemble1 EULER  187.6  119.4  340.3 FRAC -0.37  0.61 -0.05 BFAC
    31.07
   SOLU 6DIM ENSE ensemble1 EULER  275.5  106.7  140.2 FRAC -0.40  0.69 -0.01 BFAC
    -0.06
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.4  138.8 FRAC -0.40  0.19 -0.00 BFAC
    -0.06
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3599 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 225.39

----------------------------------
OCCUPANCY REFINEMENT SET #29 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=5.0 +TNCS PAK=2 LLG=-5
    RF++ TFZ=9.6 +TNCS PAK=506 LLG=222
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  275.0  105.1  139.9 FRAC  0.13  0.69 -0.00 BFAC
    -8.08
   SOLU 6DIM ENSE ensemble1 EULER  275.7  109.0  142.9 FRAC  0.12  1.19 -0.01 BFAC
    -8.08
   SOLU 6DIM ENSE ensemble1 EULER   31.7   90.8   52.4 FRAC -0.33  0.71 -0.01 BFAC
    23.22
   SOLU 6DIM ENSE ensemble1 EULER   33.5   84.9   51.3 FRAC -0.33  0.21 -0.01 BFAC
    23.22
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.2  139.3 FRAC -0.36  0.71  0.00 BFAC
    -1.34
   SOLU 6DIM ENSE ensemble1 EULER  272.9  105.9  141.1 FRAC -0.37  0.20  0.00 BFAC
    -1.34
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3559 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 221.815

----------------------------------
OCCUPANCY REFINEMENT SET #30 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2 LLG=-10
    RF++ TFZ=10.4 +TNCS PAK=386 LLG=221
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.6  139.0 FRAC  0.10  0.20 -0.00 BFAC
    -8.58
   SOLU 6DIM ENSE ensemble1 EULER  271.9  107.2  139.0 FRAC  0.11  0.70 -0.01 BFAC
    -8.58
   SOLU 6DIM ENSE ensemble1 EULER  193.0  130.6  352.7 FRAC  0.50  0.24  0.05 BFAC
    25.32
   SOLU 6DIM ENSE ensemble1 EULER  193.7  130.8  352.2 FRAC  0.49  0.73  0.05 BFAC
    25.32
   SOLU 6DIM ENSE ensemble1 EULER  275.5  106.6  140.5 FRAC  0.60  0.69 -0.02 BFAC
    -0.92
   SOLU 6DIM ENSE ensemble1 EULER  273.4  109.6  141.2 FRAC  0.60  0.19 -0.01 BFAC
    -0.92
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3393 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 220.609

----------------------------------
OCCUPANCY REFINEMENT SET #31 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=6.3 +TNCS PAK=0 LLG=-3
    RF++ TFZ=10.5 +TNCS PAK=512 LLG=220
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  109.9  140.3 FRAC  0.07  0.26 -0.00 BFAC
    -8.21
   SOLU 6DIM ENSE ensemble1 EULER  273.7  109.5  140.6 FRAC  0.07  0.76 -0.01 BFAC
    -8.21
   SOLU 6DIM ENSE ensemble1 EULER   31.7   87.1   55.6 FRAC  0.61  0.77  0.00 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER   28.2   86.3   54.2 FRAC -0.39  0.27 -0.00 BFAC
    25.86
   SOLU 6DIM ENSE ensemble1 EULER  270.0  108.3  139.0 FRAC  0.57  0.78  0.00 BFAC
    -1.60
   SOLU 6DIM ENSE ensemble1 EULER  270.7  107.6  140.4 FRAC -0.43  0.27 -0.00 BFAC
    -1.60
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3680 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 220.037

----------------------------------
OCCUPANCY REFINEMENT SET #32 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=16 LLG=-5
    RF++ TFZ=11.0 +TNCS PAK=278 LLG=216
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.9  139.4 FRAC  0.12  0.69 -0.00 BFAC
    -8.72
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.5  139.1 FRAC  0.12  1.19 -0.01 BFAC
    -8.72
   SOLU 6DIM ENSE ensemble1 EULER  271.7   73.0   50.9 FRAC  0.45  1.21  0.27 BFAC
    26.95
   SOLU 6DIM ENSE ensemble1 EULER   30.7   77.8   49.1 FRAC -0.22  0.74 -0.07 BFAC
    26.95
   SOLU 6DIM ENSE ensemble1 EULER  273.9  105.7  141.3 FRAC -0.39  0.68 -0.00 BFAC
    -0.95
   SOLU 6DIM ENSE ensemble1 EULER  272.7  106.4  139.2 FRAC  0.62  1.17 -0.01 BFAC
    -0.95
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3462 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 216.487

----------------------------------
OCCUPANCY REFINEMENT SET #33 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6 LLG=-0
    RF++ TFZ=10.7 +TNCS PAK=172 LLG=214
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  269.2  106.9  140.0 FRAC  0.15  0.70  0.00 BFAC
    -5.61
   SOLU 6DIM ENSE ensemble1 EULER  272.4  108.7  142.7 FRAC  0.14  1.19 -0.01 BFAC
    -5.61
   SOLU 6DIM ENSE ensemble1 EULER   32.3   84.6   51.6 FRAC -0.23  0.70 -0.12 BFAC
    23.23
   SOLU 6DIM ENSE ensemble1 EULER   33.3   82.5   50.9 FRAC -0.23  1.20 -0.11 BFAC
    23.23
   SOLU 6DIM ENSE ensemble1 EULER  272.6  113.6  141.4 FRAC -0.36  1.18 -0.01 BFAC
    -4.57
   SOLU 6DIM ENSE ensemble1 EULER  272.2  113.4  141.2 FRAC -0.35  0.69 -0.01 BFAC
    -4.57
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3909 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 213.836

----------------------------------
OCCUPANCY REFINEMENT SET #34 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.1 +TNCS PAK=3 LLG=-6
    RF++ TFZ=10.9 +TNCS PAK=461 LLG=211
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.7  138.5 FRAC  0.25  0.78 -0.00 BFAC
    -11.11
   SOLU 6DIM ENSE ensemble1 EULER  273.3  107.0  139.2 FRAC  0.26  1.28 -0.01 BFAC
    -11.11
   SOLU 6DIM ENSE ensemble1 EULER  237.2  158.3  358.0 FRAC  0.38  1.17  0.31 BFAC
    30.22
   SOLU 6DIM ENSE ensemble1 EULER  351.8  162.0  352.7 FRAC -0.18  0.70 -0.03 BFAC
    30.22
   SOLU 6DIM ENSE ensemble1 EULER  274.5  105.1  140.0 FRAC  0.76  1.27 -0.01 BFAC 
    3.64
   SOLU 6DIM ENSE ensemble1 EULER  278.4  106.6  139.9 FRAC -0.25  0.76 -0.02 BFAC 
    3.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3323 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 211.302

----------------------------------
OCCUPANCY REFINEMENT SET #35 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2 LLG=-6
    RF++ TFZ=10.1 +TNCS PAK=470 LLG=210
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.5  102.5  136.5 FRAC  0.12  0.70 -0.00 BFAC
    -7.55
   SOLU 6DIM ENSE ensemble1 EULER  274.4  106.5  140.1 FRAC  0.12  1.19 -0.01 BFAC
    -7.55
   SOLU 6DIM ENSE ensemble1 EULER   38.7   78.2   45.5 FRAC -0.29  0.73 -0.01 BFAC
    20.64
   SOLU 6DIM ENSE ensemble1 EULER   37.3   76.0   46.4 FRAC -0.31  0.22 -0.01 BFAC
    20.64
   SOLU 6DIM ENSE ensemble1 EULER  272.6  104.7  137.4 FRAC -0.39  0.68 -0.01 BFAC
    -1.64
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.2  137.9 FRAC -0.38  0.18 -0.01 BFAC
    -1.64
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4212 RMSD  0.36 #VRMS  1.25
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 209.579

----------------------------------
OCCUPANCY REFINEMENT SET #36 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2 LLG=-6
    RF++ TFZ=10.3 +TNCS PAK=481 LLG=210
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  103.5  136.9 FRAC  0.12  0.69  0.00 BFAC
    -9.36
   SOLU 6DIM ENSE ensemble1 EULER  273.7  107.1  140.0 FRAC  0.12  1.19 -0.01 BFAC
    -9.36
   SOLU 6DIM ENSE ensemble1 EULER   38.7   77.5   43.9 FRAC -0.29  0.73 -0.01 BFAC
    24.02
   SOLU 6DIM ENSE ensemble1 EULER   37.4   75.6   46.0 FRAC -0.31  0.22 -0.01 BFAC
    24.02
   SOLU 6DIM ENSE ensemble1 EULER  272.9  106.2  138.7 FRAC -0.38  0.18 -0.00 BFAC 
    0.74
   SOLU 6DIM ENSE ensemble1 EULER  271.8  105.7  136.8 FRAC -0.38  0.68 -0.01 BFAC 
    0.74
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4622 RMSD  0.36 #VRMS  1.26
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 209.525

----------------------------------
OCCUPANCY REFINEMENT SET #37 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=5.0 +TNCS PAK=2 LLG=-5
    RF++ TFZ=9.1 +TNCS PAK=513 LLG=209
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.9  103.8  136.6 FRAC  0.12  0.69  0.00 BFAC
    -12.98
   SOLU 6DIM ENSE ensemble1 EULER  273.2  106.8  139.6 FRAC  0.13  1.20 -0.01 BFAC
    -12.98
   SOLU 6DIM ENSE ensemble1 EULER   30.8   87.9   51.2 FRAC -0.30  0.71 -0.01 BFAC
    15.48
   SOLU 6DIM ENSE ensemble1 EULER   30.1   88.7   50.5 FRAC -0.31  0.21 -0.01 BFAC
    15.48
   SOLU 6DIM ENSE ensemble1 EULER   30.6   90.4   52.5 FRAC  0.20  0.71 -0.01 BFAC
    19.07
   SOLU 6DIM ENSE ensemble1 EULER   32.2   90.9   54.5 FRAC  0.19  1.21 -0.02 BFAC
    19.07
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3165 RMSD  0.36 #VRMS  1.20
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 209.466

----------------------------------
OCCUPANCY REFINEMENT SET #38 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=5.5 +TNCS PAK=3 LLG=4
    RF++ TFZ=10.6 +TNCS PAK=434 LLG=207
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.1  106.9  137.6 FRAC  0.09  0.45 -0.00 BFAC
    -7.80
   SOLU 6DIM ENSE ensemble1 EULER  272.7  107.5  138.7 FRAC  0.09  0.95 -0.01 BFAC
    -7.80
   SOLU 6DIM ENSE ensemble1 EULER  351.0  156.0  351.1 FRAC -0.33  0.37 -0.03 BFAC
    27.55
   SOLU 6DIM ENSE ensemble1 EULER  346.8  160.1  348.3 FRAC -0.35  0.86 -0.03 BFAC
    27.55
   SOLU 6DIM ENSE ensemble1 EULER  270.8  106.3  138.4 FRAC -0.40  0.46  0.00 BFAC
    -2.46
   SOLU 6DIM ENSE ensemble1 EULER  277.3  106.6  141.4 FRAC -0.41  0.95 -0.01 BFAC
    -2.46
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3752 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 206.522

----------------------------------
OCCUPANCY REFINEMENT SET #39 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4 LLG=-8
    RF++ TFZ=8.9 +TNCS PAK=321 LLG=206
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.6  104.9  137.7 FRAC  0.10  0.20  0.00 BFAC
    -14.10
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.1  139.7 FRAC  0.11  0.70 -0.00 BFAC
    -14.10
   SOLU 6DIM ENSE ensemble1 EULER   26.8   88.0  238.7 FRAC -0.37  0.10  0.06 BFAC
    19.76
   SOLU 6DIM ENSE ensemble1 EULER  266.0   89.4  235.4 FRAC -0.01  0.38 -0.27 BFAC
    19.76
   SOLU 6DIM ENSE ensemble1 EULER   26.7   86.8  236.7 FRAC  0.12  0.61  0.06 BFAC
    25.83
   SOLU 6DIM ENSE ensemble1 EULER   26.1   87.1  237.3 FRAC  0.12  0.11  0.06 BFAC
    25.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2665 RMSD  0.36 #VRMS  1.18
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 205.754

----------------------------------
OCCUPANCY REFINEMENT SET #40 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13 LLG=-7
    RF++ TFZ=9.2 +TNCS PAK=383 LLG=205
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.4  107.0  139.9 FRAC  0.05  0.26 -0.00 BFAC
    -12.85
   SOLU 6DIM ENSE ensemble1 EULER  271.0  105.7  138.5 FRAC  0.05  0.76 -0.01 BFAC
    -12.85
   SOLU 6DIM ENSE ensemble1 EULER   40.1   78.3   48.2 FRAC  0.46  0.36 -0.02 BFAC
    16.10
   SOLU 6DIM ENSE ensemble1 EULER   41.2   76.7   46.6 FRAC  0.46  0.86 -0.02 BFAC
    16.10
   SOLU 6DIM ENSE ensemble1 EULER   41.5   75.8   44.8 FRAC -0.04  0.87 -0.01 BFAC
    17.30
   SOLU 6DIM ENSE ensemble1 EULER   42.1   80.4   48.0 FRAC -0.04  0.37 -0.02 BFAC
    17.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3648 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 204.505

----------------------------------
OCCUPANCY REFINEMENT SET #41 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.8 +TNCS PAK=2 LLG=3
    RF++ TFZ=8.4 +TNCS PAK=412 LLG=203
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.3  139.7 FRAC  0.10  0.20  0.00 BFAC
    -13.31
   SOLU 6DIM ENSE ensemble1 EULER  272.1  105.5  138.0 FRAC  0.11  0.70 -0.01 BFAC
    -13.31
   SOLU 6DIM ENSE ensemble1 EULER   18.3  110.3  224.4 FRAC -0.45  0.29  0.00 BFAC
    15.87
   SOLU 6DIM ENSE ensemble1 EULER   17.9  109.0  222.7 FRAC -0.45 -0.22 -0.00 BFAC
    15.87
   SOLU 6DIM ENSE ensemble1 EULER   23.4  105.8  224.9 FRAC  0.05  0.79 -0.00 BFAC
    21.69
   SOLU 6DIM ENSE ensemble1 EULER   20.4  109.8  225.8 FRAC  0.05  0.29 -0.00 BFAC
    21.69
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2744 RMSD  0.36 #VRMS  1.19
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 202.751

----------------------------------
OCCUPANCY REFINEMENT SET #42 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.2 TFZ=5.4 +TNCS PAK=2 LLG=-10
    RF++ TFZ=9.9 +TNCS PAK=490 LLG=202
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.9  139.2 FRAC  0.12  0.70  0.00 BFAC
    -10.17
   SOLU 6DIM ENSE ensemble1 EULER  273.5  107.5  139.6 FRAC  0.13  1.20 -0.01 BFAC
    -10.17
   SOLU 6DIM ENSE ensemble1 EULER  334.9  158.0  340.8 FRAC -0.32  0.60 -0.02 BFAC
    28.21
   SOLU 6DIM ENSE ensemble1 EULER  328.4  159.0  341.4 FRAC -0.37  1.08 -0.03 BFAC
    28.21
   SOLU 6DIM ENSE ensemble1 EULER  273.1  109.5  140.4 FRAC -0.37  1.19 -0.01 BFAC 
    1.67
   SOLU 6DIM ENSE ensemble1 EULER  273.8  110.0  138.2 FRAC -0.38  0.69 -0.01 BFAC 
    1.67
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3922 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 201.864

----------------------------------
OCCUPANCY REFINEMENT SET #43 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=5.0 +TNCS PAK=2 LLG=-5
    RF++ TFZ=10.4 +TNCS PAK=503 LLG=201
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  270.9  103.0  140.7 FRAC  0.12  0.71  0.00 BFAC
    -6.80
   SOLU 6DIM ENSE ensemble1 EULER  277.1  108.6  140.7 FRAC  0.13  1.19 -0.01 BFAC
    -6.80
   SOLU 6DIM ENSE ensemble1 EULER   33.3   87.3   50.1 FRAC -0.31  0.72 -0.02 BFAC
    25.18
   SOLU 6DIM ENSE ensemble1 EULER   32.5   80.9   49.1 FRAC -0.31  0.23 -0.01 BFAC
    25.18
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.8  139.1 FRAC -0.37  0.19  0.00 BFAC
    -3.48
   SOLU 6DIM ENSE ensemble1 EULER  275.7  108.1  141.1 FRAC -0.38  0.69  0.00 BFAC
    -3.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4158 RMSD  0.36 #VRMS  1.24
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 201.27

----------------------------------
OCCUPANCY REFINEMENT SET #44 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2 LLG=-6
    RF++ TFZ=9.3 +TNCS PAK=466 LLG=198
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.5  136.0 FRAC  0.12  0.69 -0.00 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER  273.6  107.1  140.0 FRAC  0.13  1.19 -0.01 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER   35.2   76.4   48.3 FRAC -0.28  0.72 -0.00 BFAC
    16.62
   SOLU 6DIM ENSE ensemble1 EULER   34.6   76.2   47.2 FRAC -0.28  0.22 -0.00 BFAC
    16.62
   SOLU 6DIM ENSE ensemble1 EULER   35.3   76.6   45.4 FRAC  0.21  0.73  0.00 BFAC
    19.93
   SOLU 6DIM ENSE ensemble1 EULER   37.0   77.3   45.5 FRAC  0.22  1.23  0.00 BFAC
    19.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3805 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 197.75

----------------------------------
OCCUPANCY REFINEMENT SET #45 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6 LLG=-0
    RF++ TFZ=10.7 +TNCS PAK=167 LLG=198
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  274.5  106.1  140.4 FRAC  0.11  0.69 -0.00 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER  272.1  106.2  141.1 FRAC  0.12  1.20 -0.01 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER   33.1   85.5   52.2 FRAC -0.24  0.70 -0.11 BFAC
    13.10
   SOLU 6DIM ENSE ensemble1 EULER   33.2   85.7   51.8 FRAC -0.24  1.20 -0.11 BFAC
    13.10
   SOLU 6DIM ENSE ensemble1 EULER   34.0   83.7   50.0 FRAC  0.26  1.20 -0.11 BFAC
    22.66
   SOLU 6DIM ENSE ensemble1 EULER   34.9   87.7   48.0 FRAC  0.27  0.71 -0.11 BFAC
    22.66
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3605 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 197.735

----------------------------------
OCCUPANCY REFINEMENT SET #46 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.3 +TNCS PAK=1 LLG=4
    RF++ TFZ=9.5 +TNCS PAK=318 LLG=198
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.5  106.3  139.1 FRAC  0.09  0.20 -0.00 BFAC
    -13.28
   SOLU 6DIM ENSE ensemble1 EULER  272.2  107.0  139.3 FRAC  0.11  0.71 -0.01 BFAC
    -13.28
   SOLU 6DIM ENSE ensemble1 EULER  209.2  111.5  246.1 FRAC -0.25  0.21  0.06 BFAC
    17.38
   SOLU 6DIM ENSE ensemble1 EULER   89.2  111.3  247.2 FRAC -0.03  0.25 -0.27 BFAC
    17.38
   SOLU 6DIM ENSE ensemble1 EULER  207.4  112.1  243.1 FRAC  0.25  0.22  0.06 BFAC
    19.41
   SOLU 6DIM ENSE ensemble1 EULER  210.2  111.7  242.9 FRAC  0.26  0.72  0.06 BFAC
    19.41
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3772 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 197.725

----------------------------------
OCCUPANCY REFINEMENT SET #47 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.9 +TNCS PAK=13 LLG=-7
    RF++ TFZ=8.5 +TNCS PAK=377 LLG=198
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  270.1  108.3  138.6 FRAC  0.07  0.26 -0.00 BFAC
    -13.63
   SOLU 6DIM ENSE ensemble1 EULER  271.4  106.5  138.0 FRAC  0.07  0.76 -0.01 BFAC
    -13.63
   SOLU 6DIM ENSE ensemble1 EULER   44.1   77.8   48.1 FRAC  0.48  0.36 -0.02 BFAC
    14.22
   SOLU 6DIM ENSE ensemble1 EULER   43.8   77.6   48.5 FRAC  0.49  0.86 -0.02 BFAC
    14.22
   SOLU 6DIM ENSE ensemble1 EULER   45.1   79.5   48.9 FRAC -0.01  0.37 -0.02 BFAC
    29.44
   SOLU 6DIM ENSE ensemble1 EULER   45.9   77.2   47.5 FRAC -0.01  0.87 -0.01 BFAC
    29.44
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3330 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 197.588

----------------------------------
OCCUPANCY REFINEMENT SET #48 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=4.7 +TNCS PAK=0 LLG=-6
    RF++ TFZ=8.9 +TNCS PAK=376 LLG=197
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.7  104.2  135.9 FRAC  0.33  0.52 -0.00 BFAC
    -13.16
   SOLU 6DIM ENSE ensemble1 EULER  273.4  107.9  140.5 FRAC  0.33  1.02 -0.01 BFAC
    -13.16
   SOLU 6DIM ENSE ensemble1 EULER  196.3  130.9  351.3 FRAC -0.14  0.41 -0.04 BFAC
    15.40
   SOLU 6DIM ENSE ensemble1 EULER  194.0  133.0  349.2 FRAC -0.14  0.92 -0.05 BFAC
    15.40
   SOLU 6DIM ENSE ensemble1 EULER  200.7  132.2  350.2 FRAC  0.35  0.91 -0.04 BFAC
    20.86
   SOLU 6DIM ENSE ensemble1 EULER  196.4  132.3  348.9 FRAC  0.35  0.41 -0.04 BFAC
    20.86
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3343 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 196.508

----------------------------------
OCCUPANCY REFINEMENT SET #49 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6 LLG=-0
    RF++ TFZ=9.7 +TNCS PAK=175 LLG=194
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  103.9  136.9 FRAC  0.11  0.69 -0.00 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER  272.1  107.1  141.7 FRAC  0.13  1.20 -0.01 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER   31.3   87.4   51.6 FRAC -0.24  0.70 -0.12 BFAC
    13.11
   SOLU 6DIM ENSE ensemble1 EULER   31.7   86.8   52.0 FRAC -0.23  1.21 -0.12 BFAC
    13.11
   SOLU 6DIM ENSE ensemble1 EULER   32.2   87.4   49.3 FRAC  0.27  0.71 -0.12 BFAC
    21.63
   SOLU 6DIM ENSE ensemble1 EULER   31.2   86.2   49.7 FRAC  0.26  1.20 -0.11 BFAC
    21.63
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3683 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 194.227

----------------------------------
OCCUPANCY REFINEMENT SET #50 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=5.0 +TNCS PAK=5 LLG=2
    RF++ TFZ=8.9 +TNCS PAK=360 LLG=193
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  269.9  103.8  134.9 FRAC  0.33  0.52 -0.00 BFAC
    -13.22
   SOLU 6DIM ENSE ensemble1 EULER  272.0  105.4  138.4 FRAC  0.33  1.02 -0.01 BFAC
    -13.22
   SOLU 6DIM ENSE ensemble1 EULER  189.8  130.4  344.0 FRAC -0.21  0.66 -0.02 BFAC
    16.70
   SOLU 6DIM ENSE ensemble1 EULER  187.1  133.0  344.5 FRAC -0.21  0.15 -0.02 BFAC
    16.70
   SOLU 6DIM ENSE ensemble1 EULER  190.8  131.4  343.0 FRAC  0.29  0.64 -0.01 BFAC
    19.70
   SOLU 6DIM ENSE ensemble1 EULER  192.3  133.0  344.7 FRAC  0.29  1.15 -0.01 BFAC
    19.70
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3077 RMSD  0.36 #VRMS  1.20
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 193.461

----------------------------------
OCCUPANCY REFINEMENT SET #51 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=4.8 +TNCS PAK=0 LLG=-8
    RF++ TFZ=10.7 +TNCS PAK=356 LLG=193
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  103.9  136.1 FRAC  0.11  0.69 -0.00 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER  273.1  107.6  141.6 FRAC  0.13  1.20 -0.01 BFAC
    -12.87
   SOLU 6DIM ENSE ensemble1 EULER   35.2   87.8   39.8 FRAC -0.35  0.62  0.07 BFAC
    15.27
   SOLU 6DIM ENSE ensemble1 EULER   33.5   88.1   40.4 FRAC -0.34  1.12  0.07 BFAC
    15.27
   SOLU 6DIM ENSE ensemble1 EULER   33.9   90.1   39.1 FRAC  0.15  1.11  0.08 BFAC
    18.40
   SOLU 6DIM ENSE ensemble1 EULER   34.5   87.1   38.7 FRAC  0.16  0.62  0.07 BFAC
    18.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3266 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 192.922

----------------------------------
OCCUPANCY REFINEMENT SET #52 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.6 TFZ=4.8 +TNCS PAK=0 LLG=-8
    RF++ TFZ=9.9 +TNCS PAK=361 LLG=192
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  103.7  136.8 FRAC  0.11  0.69  0.00 BFAC
    -12.71
   SOLU 6DIM ENSE ensemble1 EULER  272.6  107.4  142.0 FRAC  0.13  1.20 -0.00 BFAC
    -12.71
   SOLU 6DIM ENSE ensemble1 EULER   31.6   89.4   46.2 FRAC -0.32  0.61  0.06 BFAC
    11.24
   SOLU 6DIM ENSE ensemble1 EULER   31.7   89.4   46.6 FRAC -0.32  1.11  0.05 BFAC
    11.24
   SOLU 6DIM ENSE ensemble1 EULER   29.8   91.3   44.6 FRAC  0.18  0.60  0.05 BFAC
    23.72
   SOLU 6DIM ENSE ensemble1 EULER   33.2   90.9   44.5 FRAC  0.19  1.11  0.06 BFAC
    23.72
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3360 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 192.029

----------------------------------
OCCUPANCY REFINEMENT SET #53 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2 LLG=-5
    RF++ TFZ=9.0 +TNCS PAK=347 LLG=191
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  104.2  136.2 FRAC  0.04  0.58 -0.00 BFAC
    -12.78
   SOLU 6DIM ENSE ensemble1 EULER  271.5  108.3  141.3 FRAC  0.05  1.08 -0.01 BFAC
    -12.78
   SOLU 6DIM ENSE ensemble1 EULER  184.2  131.2  344.6 FRAC -0.48  0.71 -0.01 BFAC
    12.85
   SOLU 6DIM ENSE ensemble1 EULER  186.0  129.7  346.5 FRAC -0.48  0.21 -0.01 BFAC
    12.85
   SOLU 6DIM ENSE ensemble1 EULER  187.1  129.9  343.9 FRAC  0.02  0.70 -0.01 BFAC
    21.19
   SOLU 6DIM ENSE ensemble1 EULER  185.3  128.2  342.3 FRAC  0.02  1.20 -0.01 BFAC
    21.19
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3612 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 190.784

----------------------------------
OCCUPANCY REFINEMENT SET #54 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10
    LLG=-11 RF++ TFZ=8.8 +TNCS PAK=247 LLG=190
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.2  106.5  136.0 FRAC  0.15  0.07  0.00 BFAC
    -12.80
   SOLU 6DIM ENSE ensemble1 EULER  272.4  105.8  138.9 FRAC  0.15  0.56 -0.01 BFAC
    -12.80
   SOLU 6DIM ENSE ensemble1 EULER  193.8  130.3  353.4 FRAC -0.24 -0.01  0.09 BFAC
    13.86
   SOLU 6DIM ENSE ensemble1 EULER  193.1  127.2  353.8 FRAC -0.25  0.48  0.09 BFAC
    13.86
   SOLU 6DIM ENSE ensemble1 EULER  196.1  126.1  359.0 FRAC  0.25  0.48  0.09 BFAC
    19.68
   SOLU 6DIM ENSE ensemble1 EULER  196.0  128.9  356.1 FRAC  0.25 -0.03  0.09 BFAC
    19.68
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3647 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 190.083

----------------------------------
OCCUPANCY REFINEMENT SET #55 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.3 +TNCS PAK=0 LLG=-11
    RF++ TFZ=8.8 +TNCS PAK=583 LLG=190
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.8  105.0  137.8 FRAC  0.10  0.20 -0.00 BFAC
    -13.56
   SOLU 6DIM ENSE ensemble1 EULER  272.6  108.4  140.2 FRAC  0.11  0.70 -0.01 BFAC
    -13.56
   SOLU 6DIM ENSE ensemble1 EULER   14.9  103.1  226.2 FRAC -0.44  0.17  0.02 BFAC
    15.23
   SOLU 6DIM ENSE ensemble1 EULER  252.4  102.1  224.6 FRAC  0.11  0.44 -0.31 BFAC
    15.23
   SOLU 6DIM ENSE ensemble1 EULER   12.0  101.1  225.1 FRAC  0.06  0.68  0.02 BFAC
    25.93
   SOLU 6DIM ENSE ensemble1 EULER   10.5  101.9  226.4 FRAC  0.06  0.18  0.02 BFAC
    25.93
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3362 RMSD  0.36 #VRMS  1.21
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 189.655

----------------------------------
OCCUPANCY REFINEMENT SET #56 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=4.2 +TNCS PAK=4 LLG=-8
    RF++ TFZ=9.0 +TNCS PAK=311 LLG=189
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.7  105.2  139.6 FRAC  0.09  0.21 -0.00 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER  271.5  107.7  141.0 FRAC  0.11  0.71 -0.01 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER   26.5   98.3  232.5 FRAC -0.36  0.11  0.08 BFAC
    12.74
   SOLU 6DIM ENSE ensemble1 EULER  266.4   96.6  230.9 FRAC -0.02  0.37 -0.25 BFAC
    12.74
   SOLU 6DIM ENSE ensemble1 EULER   23.1   96.1  230.3 FRAC  0.13  0.11  0.08 BFAC
    19.69
   SOLU 6DIM ENSE ensemble1 EULER   23.2   94.8  229.3 FRAC  0.13  0.62  0.08 BFAC
    19.69
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3465 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 189.002

----------------------------------
OCCUPANCY REFINEMENT SET #57 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=165 RFZ=4.1 TFZ=4.5 +TNCS PAK=10
    LLG=-11 RF++ TFZ=9.0 +TNCS PAK=248 LLG=188
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  274.7  105.6  134.4 FRAC  0.13  0.04  0.00 BFAC
    -12.59
   SOLU 6DIM ENSE ensemble1 EULER  275.5  108.6  141.9 FRAC  0.13  0.54 -0.01 BFAC
    -12.59
   SOLU 6DIM ENSE ensemble1 EULER  187.7  135.1  356.0 FRAC -0.23 -0.01  0.09 BFAC
    13.61
   SOLU 6DIM ENSE ensemble1 EULER  188.5  135.2  359.2 FRAC -0.24  0.48  0.09 BFAC
    13.61
   SOLU 6DIM ENSE ensemble1 EULER  189.9  134.4  359.0 FRAC  0.27 -0.02  0.09 BFAC
    18.27
   SOLU 6DIM ENSE ensemble1 EULER  187.7  135.3  356.4 FRAC  0.27  0.48  0.09 BFAC
    18.27
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3925 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 188.479

----------------------------------
OCCUPANCY REFINEMENT SET #58 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
    RF++ TFZ=8.1 +TNCS PAK=470 LLG=186
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.1  105.3  138.2 FRAC  0.09  0.21  0.00 BFAC
    -12.90
   SOLU 6DIM ENSE ensemble1 EULER  272.8  106.6  139.1 FRAC  0.10  0.72 -0.01 BFAC
    -12.90
   SOLU 6DIM ENSE ensemble1 EULER   27.9   84.1   47.1 FRAC  0.69  0.75  0.01 BFAC
    17.19
   SOLU 6DIM ENSE ensemble1 EULER   27.1   86.0   48.7 FRAC -0.32  0.25 -0.00 BFAC
    17.19
   SOLU 6DIM ENSE ensemble1 EULER   27.3   87.8   45.4 FRAC  0.20  0.25  0.01 BFAC
    16.58
   SOLU 6DIM ENSE ensemble1 EULER   29.1   84.6   45.8 FRAC  0.19  0.75  0.00 BFAC
    16.58
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3958 RMSD  0.36 #VRMS  1.24
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 186.33

----------------------------------
OCCUPANCY REFINEMENT SET #59 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=166 RFZ=4.2 TFZ=5.0 +TNCS PAK=5 LLG=2
    RF++ TFZ=10.4 +TNCS PAK=357 LLG=186
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  276.2  107.1  140.6 FRAC  0.32  0.51  0.00 BFAC
    -7.29
   SOLU 6DIM ENSE ensemble1 EULER  274.8  106.5  141.4 FRAC  0.33  1.02 -0.00 BFAC
    -7.29
   SOLU 6DIM ENSE ensemble1 EULER  199.4  128.0  352.0 FRAC -0.22  0.66 -0.01 BFAC
    22.97
   SOLU 6DIM ENSE ensemble1 EULER  202.8  129.2  354.6 FRAC -0.22  0.16 -0.02 BFAC
    22.97
   SOLU 6DIM ENSE ensemble1 EULER  278.3  106.4  141.3 FRAC -0.18  0.01 -0.01 BFAC
    -2.48
   SOLU 6DIM ENSE ensemble1 EULER  263.3  105.0  133.1 FRAC -0.17  0.48 -0.02 BFAC
    -2.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.5062 RMSD  0.36 #VRMS  1.28
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 186.214

----------------------------------
OCCUPANCY REFINEMENT SET #60 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2 LLG=-5
    RF++ TFZ=9.1 +TNCS PAK=351 LLG=186
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.7  104.1  136.1 FRAC  0.04  0.57 -0.00 BFAC
    -12.91
   SOLU 6DIM ENSE ensemble1 EULER  272.4  106.4  138.8 FRAC  0.04  1.07 -0.01 BFAC
    -12.91
   SOLU 6DIM ENSE ensemble1 EULER  186.5  129.6  344.6 FRAC -0.49  0.70 -0.01 BFAC
    15.66
   SOLU 6DIM ENSE ensemble1 EULER  186.7  129.4  344.5 FRAC -0.48  0.21 -0.01 BFAC
    15.66
   SOLU 6DIM ENSE ensemble1 EULER  187.8  128.1  343.2 FRAC  0.02  1.20 -0.00 BFAC
    18.25
   SOLU 6DIM ENSE ensemble1 EULER  187.7  129.9  342.8 FRAC  0.02  0.70 -0.01 BFAC
    18.25
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3981 RMSD  0.36 #VRMS  1.24
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 186.135

----------------------------------
OCCUPANCY REFINEMENT SET #61 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=166 RFZ=3.5 TFZ=6.3 +TNCS PAK=0 LLG=-3
    RF++ TFZ=8.5 +TNCS PAK=481 LLG=185
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  274.0  108.2  140.1 FRAC  0.05  0.26  0.00 BFAC
    -12.63
   SOLU 6DIM ENSE ensemble1 EULER  272.2  104.7  134.6 FRAC  0.05  0.76 -0.01 BFAC
    -12.63
   SOLU 6DIM ENSE ensemble1 EULER   33.4   82.1   47.9 FRAC  0.63  0.78 -0.01 BFAC
    12.84
   SOLU 6DIM ENSE ensemble1 EULER   33.5   85.0   48.8 FRAC -0.36  0.28 -0.01 BFAC
    12.84
   SOLU 6DIM ENSE ensemble1 EULER   36.0   85.6   47.9 FRAC  0.14  0.79 -0.00 BFAC
    19.78
   SOLU 6DIM ENSE ensemble1 EULER   32.3   86.5   47.4 FRAC  0.14  0.29 -0.01 BFAC
    19.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3710 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 184.856

----------------------------------
OCCUPANCY REFINEMENT SET #62 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.3 TFZ=5.0 +TNCS PAK=6 LLG=-0
    RF++ TFZ=10.5 +TNCS PAK=162 LLG=184
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  278.1  106.8  135.5 FRAC  0.10  0.72  0.03 BFAC
    -1.93
   SOLU 6DIM ENSE ensemble1 EULER  275.4  107.3  140.6 FRAC  0.12  1.19 -0.01 BFAC
    -1.93
   SOLU 6DIM ENSE ensemble1 EULER   31.7   79.2   50.0 FRAC -0.23  0.74 -0.12 BFAC
    23.92
   SOLU 6DIM ENSE ensemble1 EULER   30.8   79.8   50.1 FRAC -0.24  1.23 -0.12 BFAC
    23.92
   SOLU 6DIM ENSE ensemble1 EULER  275.9  107.6  141.1 FRAC -0.37  0.69 -0.02 BFAC
    -7.78
   SOLU 6DIM ENSE ensemble1 EULER  274.3  105.9  139.5 FRAC -0.38  1.18 -0.02 BFAC
    -7.78
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4611 RMSD  0.36 #VRMS  1.26
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 184.179

----------------------------------
OCCUPANCY REFINEMENT SET #63 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.7 TFZ=4.8 +TNCS PAK=2 LLG=-6
    RF++ TFZ=9.4 +TNCS PAK=465 LLG=184
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.6  106.6  139.2 FRAC  0.11  0.69 -0.00 BFAC
    -12.47
   SOLU 6DIM ENSE ensemble1 EULER  272.2  105.3  138.4 FRAC  0.13  1.20 -0.01 BFAC
    -12.47
   SOLU 6DIM ENSE ensemble1 EULER   34.4   78.7   47.6 FRAC -0.28  0.72 -0.01 BFAC
    12.82
   SOLU 6DIM ENSE ensemble1 EULER   36.0   77.3   46.6 FRAC -0.29  0.22 -0.01 BFAC
    12.82
   SOLU 6DIM ENSE ensemble1 EULER   37.5   78.7   45.9 FRAC  0.22  1.23 -0.01 BFAC
    18.42
   SOLU 6DIM ENSE ensemble1 EULER   35.4   81.2   46.6 FRAC  0.22  0.73 -0.01 BFAC
    18.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4528 RMSD  0.36 #VRMS  1.26
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 184.043

----------------------------------
OCCUPANCY REFINEMENT SET #64 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.6 +TNCS PAK=8 LLG=1
    RF++ TFZ=8.2 +TNCS PAK=149 LLG=181
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.9  107.0  140.4 FRAC  0.09  0.20  0.00 BFAC
    -12.62
   SOLU 6DIM ENSE ensemble1 EULER  270.9  105.6  138.9 FRAC  0.10  0.71 -0.01 BFAC
    -12.62
   SOLU 6DIM ENSE ensemble1 EULER   19.8  102.6  219.0 FRAC -0.35 -0.02 -0.08 BFAC
    13.67
   SOLU 6DIM ENSE ensemble1 EULER   17.9  103.1  217.9 FRAC -0.34  0.48 -0.09 BFAC
    13.67
   SOLU 6DIM ENSE ensemble1 EULER  137.2  105.2  218.2 FRAC  0.04  0.19  0.25 BFAC
    18.48
   SOLU 6DIM ENSE ensemble1 EULER   20.3  101.7  219.6 FRAC  0.16  0.47 -0.09 BFAC
    18.48
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3689 RMSD  0.36 #VRMS  1.22
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 181.128

----------------------------------
OCCUPANCY REFINEMENT SET #65 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.2 TFZ=5.4 +TNCS PAK=2 LLG=-10
    RF++ TFZ=9.1 +TNCS PAK=481 LLG=180
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.5  104.0  134.4 FRAC  0.12  0.70  0.00 BFAC
    -13.17
   SOLU 6DIM ENSE ensemble1 EULER  274.1  107.6  141.5 FRAC  0.13  1.20 -0.01 BFAC
    -13.17
   SOLU 6DIM ENSE ensemble1 EULER    0.0  156.4    7.6 FRAC -0.35  0.60 -0.04 BFAC
    14.51
   SOLU 6DIM ENSE ensemble1 EULER  359.6  157.7    6.8 FRAC -0.36  1.10 -0.04 BFAC
    14.51
   SOLU 6DIM ENSE ensemble1 EULER    3.2  158.1   10.4 FRAC  0.14  1.10 -0.04 BFAC
    22.40
   SOLU 6DIM ENSE ensemble1 EULER  355.6  156.9    2.9 FRAC  0.14  0.59 -0.04 BFAC
    22.40
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3760 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 179.617

----------------------------------
OCCUPANCY REFINEMENT SET #66 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RFZ=3.3 TFZ=5.5 +TNCS PAK=3 LLG=4
    RF++ TFZ=9.6 +TNCS PAK=463 LLG=178
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.7  108.2  140.3 FRAC  0.11  0.46  0.00 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER  271.7  105.3  137.9 FRAC  0.11  0.96 -0.01 BFAC
    -13.23
   SOLU 6DIM ENSE ensemble1 EULER    2.6  158.6    7.6 FRAC -0.34  0.37 -0.03 BFAC
    14.96
   SOLU 6DIM ENSE ensemble1 EULER  356.9  160.9  359.9 FRAC -0.34  0.87 -0.03 BFAC
    14.96
   SOLU 6DIM ENSE ensemble1 EULER  353.1  160.9  354.6 FRAC  0.15  0.86 -0.03 BFAC
    22.30
   SOLU 6DIM ENSE ensemble1 EULER  356.8  160.5  356.0 FRAC  0.16  0.36 -0.03 BFAC
    22.30
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4094 RMSD  0.36 #VRMS  1.24
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 178.216

----------------------------------
OCCUPANCY REFINEMENT SET #67 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.0 +TNCS PAK=2 LLG=-11
    RF++ TFZ=8.4 +TNCS PAK=377 LLG=173
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.4  105.7  138.4 FRAC  0.10  0.20 -0.00 BFAC
    -13.20
   SOLU 6DIM ENSE ensemble1 EULER  270.9  108.7  140.6 FRAC  0.11  0.71 -0.01 BFAC
    -13.20
   SOLU 6DIM ENSE ensemble1 EULER  196.5  124.6  348.3 FRAC -0.38  0.09 -0.05 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER  194.7  125.5  347.5 FRAC -0.38  0.59 -0.05 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER  197.8  123.5  347.7 FRAC  0.12  0.58 -0.05 BFAC
    21.65
   SOLU 6DIM ENSE ensemble1 EULER  197.7  123.4  345.6 FRAC  0.11  0.07 -0.05 BFAC
    21.65
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3973 RMSD  0.36 #VRMS  1.24
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 172.921

----------------------------------
OCCUPANCY REFINEMENT SET #68 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=4.3 +TNCS PAK=0 LLG=-11
    RF++ TFZ=11.3 +TNCS PAK=597 LLG=171
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  269.0   96.4  128.9 FRAC  0.12  0.20  0.02 BFAC
    -0.38
   SOLU 6DIM ENSE ensemble1 EULER  269.9  110.9  139.8 FRAC  0.10  0.70 -0.01 BFAC
    -0.38
   SOLU 6DIM ENSE ensemble1 EULER   13.5  104.4  213.6 FRAC -0.45  0.15  0.03 BFAC
    23.94
   SOLU 6DIM ENSE ensemble1 EULER  252.7  108.4  211.8 FRAC  0.11  0.46 -0.31 BFAC
    23.94
   SOLU 6DIM ENSE ensemble1 EULER  271.3  112.6  141.6 FRAC -0.40  0.20 -0.02 BFAC
    -8.75
   SOLU 6DIM ENSE ensemble1 EULER  151.3  108.8  138.3 FRAC  0.10  0.41 -0.35 BFAC
    -8.75
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4378 RMSD  0.36 #VRMS  1.25
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 171.058

----------------------------------
OCCUPANCY REFINEMENT SET #69 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2 LLG=-10
    RF++ TFZ=9.6 +TNCS PAK=387 LLG=170
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.2  105.4  137.9 FRAC  0.10  0.20  0.00 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER  273.1  109.2  140.9 FRAC  0.11  0.71 -0.01 BFAC
    -12.60
   SOLU 6DIM ENSE ensemble1 EULER  182.6  126.5  344.2 FRAC  0.49  0.22  0.03 BFAC
    14.24
   SOLU 6DIM ENSE ensemble1 EULER  185.0  127.7  344.2 FRAC  0.48  0.72  0.03 BFAC
    14.24
   SOLU 6DIM ENSE ensemble1 EULER  179.8  126.4  340.5 FRAC -0.02  0.72  0.02 BFAC
    17.51
   SOLU 6DIM ENSE ensemble1 EULER  178.4  127.7  340.7 FRAC -0.01  0.22  0.03 BFAC
    17.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4446 RMSD  0.36 #VRMS  1.26
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 170.065

----------------------------------
OCCUPANCY REFINEMENT SET #70 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0 LLG=-6
    RF++ TFZ=9.6 +TNCS PAK=373 LLG=170
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  270.8  104.8  137.6 FRAC  0.10  0.19  0.00 BFAC
    -13.12
   SOLU 6DIM ENSE ensemble1 EULER  273.7  108.8  141.0 FRAC  0.11  0.69 -0.01 BFAC
    -13.12
   SOLU 6DIM ENSE ensemble1 EULER   29.8   90.5   44.9 FRAC -0.37  0.12  0.06 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER  269.2   91.3   47.9 FRAC -0.02  0.36 -0.27 BFAC
    15.14
   SOLU 6DIM ENSE ensemble1 EULER   29.6   88.9   47.9 FRAC  0.12  0.12  0.06 BFAC
    20.85
   SOLU 6DIM ENSE ensemble1 EULER   30.1   91.7   48.5 FRAC  0.13  0.62  0.06 BFAC
    20.85
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4049 RMSD  0.36 #VRMS  1.24
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 169.751

----------------------------------
OCCUPANCY REFINEMENT SET #71 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.6 TFZ=4.8 +TNCS PAK=3 LLG=-3
    RF++ TFZ=8.3 +TNCS PAK=576 LLG=170
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.0  105.9  138.8 FRAC  0.09  0.21 -0.00 BFAC
    -12.55
   SOLU 6DIM ENSE ensemble1 EULER  271.5  104.1  137.4 FRAC  0.11  0.72 -0.01 BFAC
    -12.55
   SOLU 6DIM ENSE ensemble1 EULER  130.7   77.7   45.8 FRAC -0.34  0.26  0.03 BFAC
    13.20
   SOLU 6DIM ENSE ensemble1 EULER  129.7   74.5   47.5 FRAC -0.33 -0.24  0.03 BFAC
    13.20
   SOLU 6DIM ENSE ensemble1 EULER  129.2   76.2   49.4 FRAC  0.17  0.75  0.03 BFAC
    18.51
   SOLU 6DIM ENSE ensemble1 EULER  132.2   75.7   44.7 FRAC  0.16  0.25  0.03 BFAC
    18.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4280 RMSD  0.36 #VRMS  1.25
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 169.745

----------------------------------
OCCUPANCY REFINEMENT SET #72 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=4.0 +TNCS PAK=0 LLG=-6
    RF++ TFZ=9.7 +TNCS PAK=379 LLG=169
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.3  105.8  140.8 FRAC  0.09  0.21 -0.00 BFAC
    -12.57
   SOLU 6DIM ENSE ensemble1 EULER  270.4  106.5  139.9 FRAC  0.11  0.71 -0.01 BFAC
    -12.57
   SOLU 6DIM ENSE ensemble1 EULER   27.2   88.5   41.9 FRAC -0.36  0.12  0.06 BFAC
    12.78
   SOLU 6DIM ENSE ensemble1 EULER  265.8   86.6   43.8 FRAC -0.02  0.36 -0.27 BFAC
    12.78
   SOLU 6DIM ENSE ensemble1 EULER   26.9   88.3   38.8 FRAC  0.15  0.62  0.06 BFAC
    19.36
   SOLU 6DIM ENSE ensemble1 EULER   25.6   88.2   39.2 FRAC  0.15  0.12  0.07 BFAC
    19.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4244 RMSD  0.36 #VRMS  1.25
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 168.736

----------------------------------
OCCUPANCY REFINEMENT SET #73 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.5 +TNCS PAK=2 LLG=-10
    RF++ TFZ=9.6 +TNCS PAK=394 LLG=168
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.9  105.0  137.7 FRAC  0.09  0.20  0.00 BFAC
    -12.84
   SOLU 6DIM ENSE ensemble1 EULER  273.2  109.3  140.9 FRAC  0.11  0.70 -0.01 BFAC
    -12.84
   SOLU 6DIM ENSE ensemble1 EULER  182.6  128.4  345.0 FRAC  0.48  0.22  0.04 BFAC
    11.33
   SOLU 6DIM ENSE ensemble1 EULER  184.2  129.2  345.2 FRAC  0.48  0.71  0.04 BFAC
    11.33
   SOLU 6DIM ENSE ensemble1 EULER  180.1  128.3  344.1 FRAC -0.02  0.22  0.04 BFAC
    25.43
   SOLU 6DIM ENSE ensemble1 EULER  179.9  132.1  343.1 FRAC -0.02  0.72  0.04 BFAC
    25.43
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.3809 RMSD  0.36 #VRMS  1.23
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 167.843

----------------------------------
OCCUPANCY REFINEMENT SET #74 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=4.1 TFZ=4.0 +TNCS PAK=2 LLG=-11
    RF++ TFZ=8.2 +TNCS PAK=381 LLG=167
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  269.7  104.0  134.2 FRAC  0.09  0.19  0.00 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER  270.6  108.0  141.2 FRAC  0.12  0.70 -0.01 BFAC
    -12.97
   SOLU 6DIM ENSE ensemble1 EULER  193.3  122.9  345.9 FRAC -0.37  0.09 -0.06 BFAC
    15.73
   SOLU 6DIM ENSE ensemble1 EULER  192.7  123.4  345.1 FRAC -0.37  0.59 -0.06 BFAC
    15.73
   SOLU 6DIM ENSE ensemble1 EULER  192.2  120.4  344.4 FRAC  0.13  0.09 -0.05 BFAC
    18.65
   SOLU 6DIM ENSE ensemble1 EULER  195.5  121.7  345.4 FRAC  0.13  0.59 -0.06 BFAC
    18.65
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4184 RMSD  0.36 #VRMS  1.24
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 167.259

----------------------------------
OCCUPANCY REFINEMENT SET #75 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RFZ=3.9 TFZ=5.6 +TNCS PAK=0 LLG=4
    RF++ TFZ=8.5 +TNCS PAK=483 LLG=157
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  281.7  106.7  139.7 FRAC  0.04  0.20 -0.00 BFAC
    -10.97
   SOLU 6DIM ENSE ensemble1 EULER  259.7  104.9  136.5 FRAC  0.15  0.72 -0.01 BFAC
    -10.97
   SOLU 6DIM ENSE ensemble1 EULER   30.0   91.0   49.4 FRAC  0.69  0.76 -0.00 BFAC
    12.38
   SOLU 6DIM ENSE ensemble1 EULER   29.7   90.2   51.8 FRAC -0.32  0.26 -0.00 BFAC
    12.38
   SOLU 6DIM ENSE ensemble1 EULER   30.5   89.9   48.0 FRAC  0.18  0.75  0.00 BFAC
    10.31
   SOLU 6DIM ENSE ensemble1 EULER   31.8   91.0   49.2 FRAC  0.18  0.26 -0.00 BFAC
    10.31
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.5209 RMSD  0.36 #VRMS  1.29
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 156.506

----------------------------------
OCCUPANCY REFINEMENT SET #76 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=166 RFZ=3.2 TFZ=5.4 +TNCS PAK=2 LLG=-10
    RF++ TFZ=9.7 +TNCS PAK=493 LLG=149
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  284.4  115.2  139.3 FRAC  0.09  0.70  0.01 BFAC 
    6.77
   SOLU 6DIM ENSE ensemble1 EULER  272.0  107.7  140.3 FRAC  0.14  1.20 -0.01 BFAC 
    6.77
   SOLU 6DIM ENSE ensemble1 EULER  322.1  159.1  330.2 FRAC -0.37  0.58 -0.03 BFAC
    26.79
   SOLU 6DIM ENSE ensemble1 EULER  327.3  160.4  333.0 FRAC -0.34  1.09 -0.03 BFAC
    26.79
   SOLU 6DIM ENSE ensemble1 EULER  272.2  107.0  140.9 FRAC -0.37  0.70 -0.01 BFAC
    -11.90
   SOLU 6DIM ENSE ensemble1 EULER  271.8  105.8  140.6 FRAC -0.36  1.20 -0.02 BFAC
    -11.90
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.4997 RMSD  0.36 #VRMS  1.28
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 149.082

----------------------------------
OCCUPANCY REFINEMENT SET #77 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.1 +TNCS PAK=0 LLG=161 RFZ=4.0 TFZ=4.9 +TNCS PAK=2 LLG=-5
    RF++ TFZ=9.6 +TNCS PAK=363 LLG=134
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  267.6  104.2  133.8 FRAC  0.04  0.58  0.01 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  289.1  113.1  146.7 FRAC  0.04  1.04 -0.02 BFAC 
    0.40
   SOLU 6DIM ENSE ensemble1 EULER  201.4  131.7  341.2 FRAC -0.50  0.71 -0.03 BFAC
    27.57
   SOLU 6DIM ENSE ensemble1 EULER  175.1  133.3  325.4 FRAC -0.49  0.20 -0.02 BFAC
    27.57
   SOLU 6DIM ENSE ensemble1 EULER  266.8  105.1  131.7 FRAC -0.47  0.08  0.01 BFAC
    -9.51
   SOLU 6DIM ENSE ensemble1 EULER  267.5  106.0  134.3 FRAC -0.46  0.58  0.01 BFAC
    -9.51
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.5675 RMSD  0.36 #VRMS  1.30
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 134.24

----------------------------------
OCCUPANCY REFINEMENT SET #78 OF 78
----------------------------------


   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RFZ=3.4 TFZ=5.1 +TNCS PAK=3 LLG=-6
    RF++ TFZ=10.8 +TNCS PAK=449 LLG=120
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.7  136.6 FRAC  0.26  0.79  0.01 BFAC 
    6.26
   SOLU 6DIM ENSE ensemble1 EULER  289.2  109.5  156.0 FRAC  0.26  1.26 -0.02 BFAC 
    6.26
   SOLU 6DIM ENSE ensemble1 EULER  214.1  148.4  343.1 FRAC  0.43  1.23  0.29 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER   15.9  163.5    5.0 FRAC -0.19  0.67 -0.04 BFAC
    27.93
   SOLU 6DIM ENSE ensemble1 EULER  271.8  106.1  136.4 FRAC -0.24  0.79  0.01 BFAC
    -11.83
   SOLU 6DIM ENSE ensemble1 EULER  272.3  105.0  137.8 FRAC  0.77  1.29  0.01 BFAC
    -11.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.6859 RMSD  0.36 #VRMS  1.35
   SOLU PACKS FALSE

   tNCS present
   No occupancy refinement performed
   Log-likelihood gain = 119.809


-------
RESULTS
-------

   Occupancy Refinement Table (Unsorted)
   -------------------------------------
   Refinement to full resolution
   #+ = input number    #* = results number
   #+   #*    (Start LLG Rval TFZ) (Refined LLG Rval) Unique   =# Tmplt SpaceGroup 
   1    1          264.3 76.9 n/a          264.3 76.9    YES            P 31       
   2    2          251.3 79.3 n/a          251.3 79.3    YES            P 31       
   3    3          247.2 77.1 n/a          247.2 77.1    YES            P 31       
   4    4          246.5 78.7 n/a          246.5 78.7    YES            P 31       
   5    5          245.8 79.1 n/a          245.8 79.1    YES            P 31       
   6    6          244.1 78.6 n/a          244.1 78.6    YES            P 31       
   7    7          243.0 76.9 n/a          243.0 76.9    YES            P 31       
   8    8          242.4 78.9 n/a          242.4 78.9    YES            P 31       
   9    9          241.6 78.0 n/a          241.6 78.0    YES            P 32       
   10   10         239.5 78.3 n/a          239.5 78.3    YES            P 31       
   11   11         239.0 77.1 n/a          239.0 77.1    YES            P 32       
   12   12         238.9 78.8 n/a          238.9 78.8    YES            P 31       
   13   13         238.8 78.7 n/a          238.8 78.7    YES            P 31       
   14   14         237.8 77.5 n/a          237.8 77.5    YES            P 31       
   15   15         236.7 78.1 n/a          236.7 78.1    YES            P 31       
   16   16         236.4 79.2 n/a          236.4 79.2    YES            P 32       
   17   17         235.3 78.4 n/a          235.3 78.4    YES            P 31       
   18   18         235.1 76.1 n/a          235.1 76.1    YES            P 32       
   19   19         233.7 78.3 n/a          233.7 78.3    YES            P 32       
   20   20         233.7 77.7 n/a          233.7 77.7    YES            P 32       
   21   21         233.4 76.5 n/a          233.4 76.5    YES            P 32       
   22   22         232.8 77.3 n/a          232.8 77.3    YES            P 31       
   23   23         231.6 78.1 n/a          231.6 78.1    YES            P 32       
   24   24         230.3 77.0 n/a          230.3 77.0    YES            P 32       
   25   25         227.3 78.2 n/a          227.3 78.2    YES            P 31       
   26   26         226.1 78.7 n/a          226.1 78.7    YES            P 31       
   27   27         225.8 77.2 n/a          225.8 77.2    YES            P 32       
   28   28         225.4 80.0 n/a          225.4 80.0    YES            P 31       
   29   29         221.8 76.7 n/a          221.8 76.7    YES            P 32       
   30   30         220.6 78.2 n/a          220.6 78.2    YES            P 31       
   31   31         220.0 79.2 n/a          220.0 79.2    YES            P 32       
   32   32         216.5 79.0 n/a          216.5 79.0    YES            P 32       
   33   33         213.8 77.2 n/a          213.8 77.2    YES            P 32       
   34   34         211.3 79.6 n/a          211.3 79.6    YES            P 32       
   35   35         209.6 77.2 n/a          209.6 77.2    YES            P 32       
   36   36         209.5 78.2 n/a          209.5 78.2    YES            P 32       
   37   37         209.5 74.2 n/a          209.5 74.2    YES            P 32       
   38   38         206.5 80.7 n/a          206.5 80.7    YES            P 32       
   39   39         205.8 75.9 n/a          205.8 75.9    YES            P 31       
   40   40         204.5 73.6 n/a          204.5 73.6    YES            P 32       
   41   41         202.8 73.1 n/a          202.8 73.1    YES            P 31       
   42   42         201.9 79.1 n/a          201.9 79.1    YES            P 32       
   43   43         201.3 75.4 n/a          201.3 75.4    YES            P 32       
   44   44         197.7 74.9 n/a          197.7 74.9    YES            P 32       
   45   45         197.7 73.8 n/a          197.7 73.8    YES            P 32       
   46   46         197.7 75.8 n/a          197.7 75.8    YES            P 31       
   47   47         197.6 73.6 n/a          197.6 73.6    YES            P 32       
   48   48         196.5 73.9 n/a          196.5 73.9    YES            P 31       
   49   49         194.2 75.2 n/a          194.2 75.2    YES            P 32       
   50   50         193.5 73.7 n/a          193.5 73.7    YES            P 31       
   51   51         192.9 75.3 n/a          192.9 75.3    YES            P 32       
   52   52         192.0 73.9 n/a          192.0 73.9    YES            P 32       
   53   53         190.8 74.3 n/a          190.8 74.3    YES            P 32       
   54   54         190.1 73.8 n/a          190.1 73.8    YES            P 31       
   55   55         189.7 74.4 n/a          189.7 74.4    YES            P 31       
   56   56         189.0 74.2 n/a          189.0 74.2    YES            P 31       
   57   57         188.5 74.9 n/a          188.5 74.9    YES            P 31       
   58   58         186.3 74.5 n/a          186.3 74.5    YES            P 31       
   59   59         186.2 76.1 n/a          186.2 76.1    YES            P 31       
   60   60         186.1 75.8 n/a          186.1 75.8    YES            P 32       
   61   61         184.9 73.6 n/a          184.9 73.6    YES            P 32       
   62   62         184.2 76.0 n/a          184.2 76.0    YES            P 32       
   63   63         184.0 75.4 n/a          184.0 75.4    YES            P 32       
   64   64         181.1 72.5 n/a          181.1 72.5    YES            P 31       
   65   65         179.6 76.6 n/a          179.6 76.6    YES            P 32       
   66   66         178.2 75.3 n/a          178.2 75.3    YES            P 32       
   67   67         172.9 75.5 n/a          172.9 75.5    YES            P 31       
   68   68         171.1 73.9 n/a          171.1 73.9    YES            P 31       
   69   69         170.1 74.5 n/a          170.1 74.5    YES            P 31       
   70   70         169.8 74.3 n/a          169.8 74.3    YES            P 31       
   71   71         169.7 74.6 n/a          169.7 74.6    YES            P 31       
   72   72         168.7 74.2 n/a          168.7 74.2    YES            P 31       
   73   73         167.8 74.4 n/a          167.8 74.4    YES            P 31       
   74   74         167.3 75.4 n/a          167.3 75.4    YES            P 31       
   75   75         156.5 72.5 n/a          156.5 72.5    YES            P 31       
   76   76         149.1 75.9 n/a          149.1 75.9    YES            P 32       
   77   77         134.2 75.5 n/a          134.2 75.5    YES            P 32       
   78   78         119.8 75.4 n/a          119.8 75.4    YES            P 32       

   Occupancy Refinement Table (Sorted)
   -----------------------------------
   Refinement to full resolution
   #+ = input number    #* = results number
   #+   #*    (Start LLG Rval TFZ) (Refined LLG Rval) Unique   =# Tmplt SpaceGroup 
   1    1          264.3 76.9 n/a          264.3 76.9    YES            P 31       
   2    2          251.3 79.3 n/a          251.3 79.3    YES            P 31       
   3    3          247.2 77.1 n/a          247.2 77.1    YES            P 31       
   4    4          246.5 78.7 n/a          246.5 78.7    YES            P 31       
   5    5          245.8 79.1 n/a          245.8 79.1    YES            P 31       
   6    6          244.1 78.6 n/a          244.1 78.6    YES            P 31       
   7    7          243.0 76.9 n/a          243.0 76.9    YES            P 31       
   8    8          242.4 78.9 n/a          242.4 78.9    YES            P 31       
   9    9          241.6 78.0 n/a          241.6 78.0    YES            P 32       
   10   10         239.5 78.3 n/a          239.5 78.3    YES            P 31       
   11   11         239.0 77.1 n/a          239.0 77.1    YES            P 32       
   12   12         238.9 78.8 n/a          238.9 78.8    YES            P 31       
   13   13         238.8 78.7 n/a          238.8 78.7    YES            P 31       
   14   14         237.8 77.5 n/a          237.8 77.5    YES            P 31       
   15   15         236.7 78.1 n/a          236.7 78.1    YES            P 31       
   16   16         236.4 79.2 n/a          236.4 79.2    YES            P 32       
   17   17         235.3 78.4 n/a          235.3 78.4    YES            P 31       
   18   18         235.1 76.1 n/a          235.1 76.1    YES            P 32       
   19   19         233.7 78.3 n/a          233.7 78.3    YES            P 32       
   20   20         233.7 77.7 n/a          233.7 77.7    YES            P 32       
   21   21         233.4 76.5 n/a          233.4 76.5    YES            P 32       
   22   22         232.8 77.3 n/a          232.8 77.3    YES            P 31       
   23   23         231.6 78.1 n/a          231.6 78.1    YES            P 32       
   24   24         230.3 77.0 n/a          230.3 77.0    YES            P 32       
   25   25         227.3 78.2 n/a          227.3 78.2    YES            P 31       
   26   26         226.1 78.7 n/a          226.1 78.7    YES            P 31       
   27   27         225.8 77.2 n/a          225.8 77.2    YES            P 32       
   28   28         225.4 80.0 n/a          225.4 80.0    YES            P 31       
   29   29         221.8 76.7 n/a          221.8 76.7    YES            P 32       
   30   30         220.6 78.2 n/a          220.6 78.2    YES            P 31       
   31   31         220.0 79.2 n/a          220.0 79.2    YES            P 32       
   32   32         216.5 79.0 n/a          216.5 79.0    YES            P 32       
   33   33         213.8 77.2 n/a          213.8 77.2    YES            P 32       
   34   34         211.3 79.6 n/a          211.3 79.6    YES            P 32       
   35   35         209.6 77.2 n/a          209.6 77.2    YES            P 32       
   36   36         209.5 78.2 n/a          209.5 78.2    YES            P 32       
   37   37         209.5 74.2 n/a          209.5 74.2    YES            P 32       
   38   38         206.5 80.7 n/a          206.5 80.7    YES            P 32       
   39   39         205.8 75.9 n/a          205.8 75.9    YES            P 31       
   40   40         204.5 73.6 n/a          204.5 73.6    YES            P 32       
   41   41         202.8 73.1 n/a          202.8 73.1    YES            P 31       
   42   42         201.9 79.1 n/a          201.9 79.1    YES            P 32       
   43   43         201.3 75.4 n/a          201.3 75.4    YES            P 32       
   44   44         197.7 74.9 n/a          197.7 74.9    YES            P 32       
   45   45         197.7 73.8 n/a          197.7 73.8    YES            P 32       
   46   46         197.7 75.8 n/a          197.7 75.8    YES            P 31       
   47   47         197.6 73.6 n/a          197.6 73.6    YES            P 32       
   48   48         196.5 73.9 n/a          196.5 73.9    YES            P 31       
   49   49         194.2 75.2 n/a          194.2 75.2    YES            P 32       
   50   50         193.5 73.7 n/a          193.5 73.7    YES            P 31       
   51   51         192.9 75.3 n/a          192.9 75.3    YES            P 32       
   52   52         192.0 73.9 n/a          192.0 73.9    YES            P 32       
   53   53         190.8 74.3 n/a          190.8 74.3    YES            P 32       
   54   54         190.1 73.8 n/a          190.1 73.8    YES            P 31       
   55   55         189.7 74.4 n/a          189.7 74.4    YES            P 31       
   56   56         189.0 74.2 n/a          189.0 74.2    YES            P 31       
   57   57         188.5 74.9 n/a          188.5 74.9    YES            P 31       
   58   58         186.3 74.5 n/a          186.3 74.5    YES            P 31       
   59   59         186.2 76.1 n/a          186.2 76.1    YES            P 31       
   60   60         186.1 75.8 n/a          186.1 75.8    YES            P 32       
   61   61         184.9 73.6 n/a          184.9 73.6    YES            P 32       
   62   62         184.2 76.0 n/a          184.2 76.0    YES            P 32       
   63   63         184.0 75.4 n/a          184.0 75.4    YES            P 32       
   64   64         181.1 72.5 n/a          181.1 72.5    YES            P 31       
   65   65         179.6 76.6 n/a          179.6 76.6    YES            P 32       
   66   66         178.2 75.3 n/a          178.2 75.3    YES            P 32       
   67   67         172.9 75.5 n/a          172.9 75.5    YES            P 31       
   68   68         171.1 73.9 n/a          171.1 73.9    YES            P 31       
   69   69         170.1 74.5 n/a          170.1 74.5    YES            P 31       
   70   70         169.8 74.3 n/a          169.8 74.3    YES            P 31       
   71   71         169.7 74.6 n/a          169.7 74.6    YES            P 31       
   72   72         168.7 74.2 n/a          168.7 74.2    YES            P 31       
   73   73         167.8 74.4 n/a          167.8 74.4    YES            P 31       
   74   74         167.3 75.4 n/a          167.3 75.4    YES            P 31       
   75   75         156.5 72.5 n/a          156.5 72.5    YES            P 31       
   76   76         149.1 75.9 n/a          149.1 75.9    YES            P 32       
   77   77         134.2 75.5 n/a          134.2 75.5    YES            P 32       
   78   78         119.8 75.4 n/a          119.8 75.4    YES            P 32       


$TABLE : Occupancy Refinement:
$GRAPHS 
:Solution Number vs LL-gain:NOUGHT:1,2,3: :Solution Number vs R-value:NOUGHT:1,4,5: 
$$
Number final-LLG initial-LLG final-R initial-R
$$ loggraph $$
1     264.29     264.29 76.89 76.89
2     251.35     251.35 79.28 79.28
3     247.19     247.19 77.10 77.10
4     246.52     246.52 78.71 78.71
5     245.80     245.80 79.13 79.13
6     244.05     244.05 78.64 78.64
7     243.01     243.01 76.86 76.86
8     242.37     242.37 78.85 78.85
9     241.65     241.65 78.05 78.05
10     239.50     239.50 78.26 78.26
11     239.02     239.02 77.05 77.05
12     238.88     238.88 78.77 78.77
13     238.82     238.82 78.66 78.66
14     237.83     237.83 77.54 77.54
15     236.72     236.72 78.12 78.12
16     236.36     236.36 79.22 79.22
17     235.27     235.27 78.44 78.44
18     235.09     235.09 76.06 76.06
19     233.74     233.74 78.28 78.28
20     233.66     233.66 77.70 77.70
21     233.43     233.43 76.54 76.54
22     232.76     232.76 77.35 77.35
23     231.62     231.62 78.06 78.06
24     230.33     230.33 76.98 76.98
25     227.28     227.28 78.23 78.23
26     226.11     226.11 78.73 78.73
27     225.79     225.79 77.20 77.20
28     225.39     225.39 80.05 80.05
29     221.82     221.82 76.74 76.74
30     220.61     220.61 78.25 78.25
31     220.04     220.04 79.18 79.18
32     216.49     216.49 78.96 78.96
33     213.84     213.84 77.17 77.17
34     211.30     211.30 79.56 79.56
35     209.58     209.58 77.25 77.25
36     209.53     209.53 78.24 78.24
37     209.47     209.47 74.23 74.23
38     206.52     206.52 80.68 80.68
39     205.75     205.75 75.85 75.85
40     204.51     204.51 73.57 73.57
41     202.75     202.75 73.09 73.09
42     201.86     201.86 79.09 79.09
43     201.27     201.27 75.43 75.43
44     197.75     197.75 74.88 74.88
45     197.73     197.73 73.81 73.81
46     197.72     197.72 75.81 75.81
47     197.59     197.59 73.65 73.65
48     196.51     196.51 73.89 73.89
49     194.23     194.23 75.18 75.18
50     193.46     193.46 73.67 73.67
51     192.92     192.92 75.31 75.31
52     192.03     192.03 73.90 73.90
53     190.78     190.78 74.31 74.31
54     190.08     190.08 73.85 73.85
55     189.66     189.66 74.45 74.45
56     189.00     189.00 74.25 74.25
57     188.48     188.48 74.93 74.93
58     186.33     186.33 74.47 74.47
59     186.21     186.21 76.11 76.11
60     186.14     186.14 75.85 75.85
61     184.86     184.86 73.60 73.60
62     184.18     184.18 76.01 76.01
63     184.04     184.04 75.40 75.40
64     181.13     181.13 72.49 72.49
65     179.62     179.62 76.61 76.61
66     178.22     178.22 75.32 75.32
67     172.92     172.92 75.46 75.46
68     171.06     171.06 73.92 73.92
69     170.06     170.06 74.51 74.51
70     169.75     169.75 74.34 74.34
71     169.74     169.74 74.57 74.57
72     168.74     168.74 74.19 74.19
73     167.84     167.84 74.41 74.41
74     167.26     167.26 75.45 75.45
75     156.51     156.51 72.50 72.50
76     149.08     149.08 75.87 75.87
77     134.24     134.24 75.55 75.55
78     119.81     119.81 75.44 75.44
$$
------------
OUTPUT FILES
------------

   A sharpening B-factor of 100% of the isotropic B-factor in the direction of
   smallest falloff (i.e. highest resolution) has been added to the anisotropically
   corrected structure factors (FWT,DELFWT)

   Calculation of Map Coefficients
   -------------------------------
   1 top map coefficients calculated

   Map coefficient calculated for top solution #1
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  271.2  106.9  138.0 FRAC  0.10  0.20  0.00 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.7  138.8 FRAC  0.10  0.70 -0.01 BFAC
    -11.42
   SOLU 6DIM ENSE ensemble1 EULER   19.0  103.4  225.1 FRAC -0.35  0.00 -0.08 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER   15.5  104.9  218.1 FRAC -0.35  0.49 -0.09 BFAC
    26.90
   SOLU 6DIM ENSE ensemble1 EULER  156.5  106.0  139.7 FRAC  0.09  0.40 -0.35 BFAC 
    5.17
   SOLU 6DIM ENSE ensemble1 EULER  271.9  107.5  137.1 FRAC -0.40  0.19 -0.00 BFAC 
    5.17
   SOLU ENSEMBLE ensemble1 VRMS DELTA +1.2438 RMSD  0.36 #VRMS  1.17
   SOLU PACKS FALSE

   No files output


CPU Time: 0 days 0 hrs 39 mins 28.07 secs (   2368.07 secs)
Finished: Thu Apr 21 18:11:09 2016

*************************************************************************************
*** Phaser Module: MOLECULAR REPLACEMENT PACKING ANALYSIS                   2.6.1 ***
*************************************************************************************


---------
ENSEMBLES
---------

   Packing Ensemble: ensemble1

-----------------
ENSEMBLE SYMMETRY
-----------------

   Ensemble "ensemble1" Point Group: 1

----------------------
STRUCTURES FOR PACKING
----------------------

   Packing will be performed with "trace" atoms
      : C-alphas for protein
      : P C3* & C4* for single stranded nucleic acid
      : P C3* & C4* and N (bases) for double stranded nucleic acid
   If there are no trace atoms in the molecule(s) all atoms will be used in the
   packing test
   If the trace length exceeds 1000 atoms then the molecule(s) will be sampled on a
   hexagonal grid and the clash distance increased in proportion to the size of the
   hexagonal grid sampling
   When an ensemble consists of more than one structure, the structure with the
   highest homology is selected for packing and the structure trimmed of loops that
   diverge more than 3A from other atoms in the ensemble


   Ensemble: ensemble1
   -------------------
   All atoms =  707
   Structure with lowest rms = 2N2D-model1.pdb (0.362426)
   Trace length = 155
   Trace atoms clash if they are closer than  3.00 Angstroms


----------------
PACKING FUNCTION
----------------

   There are 78 solutions to pack
   Spreading calculation onto 2 threads.
   Packing analysis
   0%                                       100%
   |========================================| DONE


-------------------------------------------------------------------------------------
Warning: Packing Component #6
Solutions with Z-scores greater than  8.0 (the threshold indicating a definite
solution) failed the packing test
#1 TFZ=11.2 PAK=166
#2 TFZ=10.7 PAK=510
#3 TFZ=10.1 PAK=209
#4 TFZ=10.7 PAK=468
#5 TFZ=10.4 PAK=404
#6 TFZ=10.5 PAK=296
#7 TFZ=10.3 PAK=212
#8 TFZ=10.4 PAK=355
#9 TFZ=10.5 PAK=349
#10 TFZ=10.0 PAK=479
#11 TFZ= 9.9 PAK=491
#12 TFZ=11.5 PAK=395
#13 TFZ=10.3 PAK=332
#14 TFZ=10.3 PAK=342
#15 TFZ=10.8 PAK=470
#16 TFZ=10.4 PAK=478
#17 TFZ=10.9 PAK=589
#18 TFZ= 9.8 PAK=503
#19 TFZ=10.4 PAK=477
#20 TFZ=11.3 PAK=395
#21 TFZ=10.6 PAK=245
#22 TFZ=10.2 PAK=547
#23 TFZ=10.3 PAK=342
#24 TFZ=10.3 PAK=429
#25 TFZ= 9.9 PAK=304
#26 TFZ=11.1 PAK=168
#27 TFZ= 9.3 PAK=335
#28 TFZ=10.1 PAK=421
#29 TFZ= 9.6 PAK=547
#30 TFZ=10.4 PAK=359
#31 TFZ=10.5 PAK=596
#32 TFZ=11.0 PAK=282
#33 TFZ=10.7 PAK=174
#34 TFZ=10.9 PAK=476
#35 TFZ=10.1 PAK=495
#36 TFZ=10.3 PAK=499
#37 TFZ= 9.5 PAK=513
#38 TFZ=10.6 PAK=425
#39 TFZ= 8.9 PAK=396
#40 TFZ= 9.2 PAK=332
#41 TFZ= 8.4 PAK=402
#42 TFZ= 9.9 PAK=467
#43 TFZ=10.4 PAK=531
#44 TFZ= 9.3 PAK=498
#45 TFZ=10.7 PAK=174
#46 TFZ= 9.5 PAK=303
#47 TFZ= 8.5 PAK=346
#48 TFZ= 9.0 PAK=375
#49 TFZ= 9.7 PAK=158
#50 TFZ= 8.9 PAK=369
#51 TFZ=10.7 PAK=358
#52 TFZ= 9.9 PAK=360
#53 TFZ= 9.0 PAK=406
#54 TFZ= 8.8 PAK=244
#55 TFZ= 8.8 PAK=576
#56 TFZ= 9.0 PAK=309
#57 TFZ= 9.0 PAK=215
#58 TFZ= 8.1 PAK=470
#59 TFZ=10.4 PAK=294
#60 TFZ= 9.1 PAK=397
#61 TFZ= 8.5 PAK=506
#62 TFZ=10.5 PAK=197
#63 TFZ= 9.4 PAK=494
#64 TFZ= 8.2 PAK=145
#65 TFZ= 9.1 PAK=468
#66 TFZ= 9.6 PAK=441
#67 TFZ= 8.4 PAK=365
#68 TFZ=11.3 PAK=554
#69 TFZ= 9.6 PAK=412
#70 TFZ= 9.6 PAK=442
#71 TFZ= 8.3 PAK=589
#72 TFZ= 9.7 PAK=359
#73 TFZ= 9.6 PAK=399
#74 TFZ= 8.2 PAK=387
#75 TFZ= 8.5 PAK=461
#76 TFZ= 9.7 PAK=450
#77 TFZ= 9.6 PAK=343
#78 TFZ=10.8 PAK=408
-------------------------------------------------------------------------------------



   Packing Table
   -------------
   Solutions accepted if total number of clashes <= 5% of trace atoms
      i.e. total number of clashes <= 46
   AND if number of clashes <= 5% of trace atoms for each ensemble
      i.e. ensemble1: number of clashes <= 7
   #in  #out Clashes Symm TF-SET  ROT TFpk#        TF    TFZ    SpaceGroup 
   1    ---   166    --      18    29    1       -381.94 11.17  P 31       
   2    ---   510    --      14    14    1       -395.83 10.74  P 31       
   3    ---   209    --      38    31    2       -395.57 10.11  P 31       
   4    ---   468    --      29     2    2       -398.93 10.72  P 31       
   5    ---   404    --      16    18    1       -422.16 10.40  P 31       
   6    ---   296    --      35     2    2       -407.98 10.47  P 31       
   7    ---   212    --      38    31    1       -373.19 10.30  P 31       
   8    ---   355    --      33    71    1       -369.96 10.40  P 31       
   9    ---   349    --      31    14    1       -408.91 10.55  P 32       
   10   ---   479    --      14    14    2       -426.70 10.03  P 31       
   11   ---   491    --      21    29    1       -352.34  9.91  P 32       
   12   ---   395    --      29     2    1       -378.51 11.49  P 31       
   13   ---   332    --      33    71    2       -378.52 10.27  P 31       
   14   ---   342    --      15     6    2       -426.17 10.25  P 31       
   15   ---   470    --      28    25    2       -383.41 10.84  P 31       
   16   ---   478    --      22     8    2       -403.15 10.44  P 32       
   17   ---   589    --      37    27    2       -369.23 10.88  P 31       
   18   ---   503    --      21    29    2       -374.65  9.77  P 32       
   19   ---   477    --      19    53    1       -389.39 10.41  P 32       
   20   ---   395    --      32    27    2       -397.70 11.32  P 32       
   21   ---   245    --      26    14    2       -410.48 10.61  P 32       
   22   ---   547    --      23     2    2       -407.70 10.25  P 31       
   23   ---   342    --      31    14    2       -417.11 10.31  P 32       
   24   ---   429    --      13    50    2       -401.78 10.32  P 32       
   25   ---   304    --      17    10    1       -394.47  9.86  P 31       
   26   ---   168    --      18    29    2       -398.51 11.07  P 31       
   27   ---   335    --      24    17    2       -396.73  9.28  P 32       
   28   ---   421    --      36    13    2       -420.84 10.05  P 31       
   29   ---   547    --      25    18    2       -393.31  9.64  P 32       
   30   ---   359    --      35     2    1       -406.71 10.37  P 31       
   31   ---   596    --      22     8    1       -397.94 10.51  P 32       
   32   ---   282    --      26    14    1       -401.73 10.97  P 32       
   33   ---   174    --      20    24    1       -415.83 10.68  P 32       
   34   ---   476    --      30     7    1       -394.83 10.86  P 32       
   35   ---   495    --      27     8    2       -387.22 10.09  P 32       
   36   ---   499    --      27     8    1       -377.44 10.28  P 32       
   37   ---   513    --      25    19    2       -328.57  9.50  P 32       
   38   ---   425    --      13    50    1       -390.02 10.64  P 32       
   39   ---   396    --      33    72    2       -338.55  8.91  P 31       
   40   ---   332    --      31    15    1       -333.60  9.19  P 32       
   41   ---   402    --      16    19    1       -377.99  8.40  P 31       
   42   ---   467    --      34     6    1       -396.88  9.93  P 32       
   43   ---   531    --      25    18    1       -384.19 10.39  P 32       
   44   ---   498    --      27     9    1       -317.97  9.29  P 32       
   45   ---   174    --      20    25    1       -308.36 10.65  P 32       
   46   ---   303    --      15     7    1       -356.95  9.52  P 31       
   47   ---   346    --      31    15    2       -345.26  8.54  P 32       
   48   ---   375    --      28    26    2       -360.21  9.02  P 31       
   49   ---   158    --      20    25    2       -344.51  9.73  P 32       
   50   ---   369    --      17    11    1       -363.74  8.90  P 31       
   51   ---   358    --      32    28    1       -314.28 10.71  P 32       
   52   ---   360    --      32    28    2       -346.49  9.93  P 32       
   53   ---   406    --      24    18    2       -378.57  8.96  P 32       
   54   ---   244    --      38    32    2       -314.35  8.77  P 31       
   55   ---   576    --      37    28    1       -365.50  8.78  P 31       
   56   ---   309    --      33    72    1       -326.22  9.00  P 31       
   57   ---   215    --      38    32    1       -306.85  9.00  P 31       
   58   ---   470    --      14    15    1       -359.03  8.14  P 31       
   59   ---   294    --      17    10    2       -401.02 10.36  P 31       
   60   ---   397    --      24    18    1       -365.09  9.15  P 32       
   61   ---   506    --      22     9    1       -337.15  8.50  P 32       
   62   ---   197    --      20    24    2       -416.60 10.54  P 32       
   63   ---   494    --      27     9    2       -326.26  9.44  P 32       
   64   ---   145    --      18    30    1       -353.46  8.16  P 31       
   65   ---   468    --      34     7    2       -348.29  9.14  P 32       
   66   ---   441    --      13    51    1       -343.23  9.65  P 32       
   67   ---   365    --      36    14    1       -342.83  8.37  P 31       
   68   ---   554    --      37    27    1       -358.53 11.32  P 31       
   69   ---   412    --      35     3    2       -346.96  9.57  P 31       
   70   ---   442    --      29     3    2       -380.72  9.55  P 31       
   71   ---   589    --      23     3    1       -373.77  8.28  P 31       
   72   ---   359    --      29     3    1       -376.15  9.71  P 31       
   73   ---   399    --      35     3    1       -338.93  9.63  P 31       
   74   ---   387    --      36    14    2       -353.07  8.21  P 31       
   75   ---   461    --      14    15    2       -365.48  8.51  P 31       
   76   ---   450    --      34     6    2       -401.03  9.71  P 32       
   77   ---   343    --      24    17    1       -391.10  9.63  P 32       
   78   ---   408    --      30     7    2       -403.70 10.79  P 32       

   0 accepted of 78 solutions

------------
OUTPUT FILES
------------

   No files output

CPU Time: 0 days 0 hrs 39 mins 30.18 secs (   2370.18 secs)
Finished: Thu Apr 21 18:11:10 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

** No solutions after final packing
** Solution reverts to previous partial solution
**    Only packing solutions retained
** Number of solutions = 75
** Solution TOP LLG = 60.6
** Solution TOP TFZ = 20.4

CPU Time: 0 days 0 hrs 39 mins 30.19 secs (   2370.19 secs)
Finished: Thu Apr 21 18:11:10 2016

*************************************************************************************
*** Phaser Module: AUTOMATED MOLECULAR REPLACEMENT                          2.6.1 ***
*************************************************************************************

   $TEXT:MR Result: $$ Baubles Markup $$

** Sorry - No solution with all components
   You may find a solution with a different search or selection strategy

** Solutions written to SOL file:  /home/cqx/Desktop/160418/B-2/CCP4i/0418B2_3.sol
** Pdb and/or Mtz files have been written with results for 1 of these solutions

** Partial Solution #1 written to PDB file: 
   /home/cqx/Desktop/160418/B-2/CCP4i/0418B2_3.1.pdb
** Partial Solution #1 written to MTZ file: 
   /home/cqx/Desktop/160418/B-2/CCP4i/0418B2_3.1.mtz
   Partial Solution #1 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=170 RF++ TFZ=19.9 +TNCS PAK=0 LLG=61
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  271.1  104.1  136.9 FRAC  0.26  0.29 -0.00 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.5  139.0 FRAC  0.26  0.79 -0.01 BFAC 
    0.17
   SOLU 6DIM ENSE ensemble1 EULER  276.4  107.3  137.7 FRAC -0.24  0.27  0.00 BFAC
    20.36
   SOLU 6DIM ENSE ensemble1 EULER  153.1  106.8  139.7 FRAC  0.02  0.24  0.33 BFAC
    20.36
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Annotation shown below for a maximum of a further 9 solutions
   See SOL file for any additional solutions

   Partial Solution #2 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=3.0 +TNCS PAK=0 LLG=167 RF++ TFZ=19.4 +TNCS PAK=0 LLG=61
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.3  106.4  139.1 FRAC  0.10  0.20  0.00 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.1  139.5 FRAC  0.10  0.70 -0.01 BFAC 
    1.10
   SOLU 6DIM ENSE ensemble1 EULER  278.0  105.9  139.7 FRAC  0.60  0.69 -0.01 BFAC
    22.03
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.9  138.0 FRAC  0.60  1.19 -0.01 BFAC
    22.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #3 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=60
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  273.2  107.5  138.9 FRAC  0.76  1.27 -0.00 BFAC
    21.83
   SOLU 6DIM ENSE ensemble1 EULER   37.8  106.3  137.0 FRAC  0.24  0.99 -0.34 BFAC
    21.83
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #4 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.5 +TNCS PAK=0 LLG=163 RF++ TFZ=19.6 +TNCS PAK=0 LLG=57
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.6  106.6  139.2 FRAC  0.31  0.66  0.00 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  272.8  105.5  138.8 FRAC  0.31  1.15 -0.01 BFAC 
    0.87
   SOLU 6DIM ENSE ensemble1 EULER  279.6  102.9  140.8 FRAC  0.81  1.15 -0.01 BFAC
    18.97
   SOLU 6DIM ENSE ensemble1 EULER  279.0  103.8  139.7 FRAC  0.81  1.66 -0.01 BFAC
    18.97
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #5 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=20.1 +TNCS PAK=0 LLG=57
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  276.5  105.6  140.2 FRAC -0.41  0.43 -0.00 BFAC
    22.16
   SOLU 6DIM ENSE ensemble1 EULER   36.3  107.3  137.4 FRAC  0.06  0.66 -0.34 BFAC
    22.16
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #6 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.9 +TNCS PAK=0 LLG=178 RF++ TFZ=19.7 +TNCS PAK=0 LLG=54
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  272.9  107.2  139.2 FRAC  0.22  0.40  0.00 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  272.3  104.8  137.5 FRAC  0.22  0.90 -0.01 BFAC
    -0.12
   SOLU 6DIM ENSE ensemble1 EULER  278.8  106.1  141.5 FRAC  0.72  0.88 -0.01 BFAC
    21.84
   SOLU 6DIM ENSE ensemble1 EULER  276.6  104.9  139.1 FRAC  0.72  0.38 -0.00 BFAC
    21.84
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #7 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.3 +TNCS PAK=0 LLG=162 RF++ TFZ=19.8 +TNCS PAK=0 LLG=53
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  107.0  138.4 FRAC  0.22  0.09  0.00 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  272.4  107.3  139.6 FRAC  0.23  0.59 -0.01 BFAC 
    1.59
   SOLU 6DIM ENSE ensemble1 EULER  279.2  105.7  138.0 FRAC  0.73  0.58 -0.00 BFAC
    21.42
   SOLU 6DIM ENSE ensemble1 EULER  156.6  105.1  141.3 FRAC  0.36  0.28  0.33 BFAC
    21.42
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #8 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.7 +TNCS PAK=0 LLG=167 RF++ TFZ=19.7 +TNCS PAK=0 LLG=50
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  273.0  108.3  140.4 FRAC  0.09  0.45  0.00 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  272.2  106.0  138.5 FRAC  0.10  0.95 -0.01 BFAC 
    0.60
   SOLU 6DIM ENSE ensemble1 EULER  288.7  107.1  137.2 FRAC  0.60  0.91 -0.00 BFAC
    25.03
   SOLU 6DIM ENSE ensemble1 EULER  273.6  105.8  139.6 FRAC  0.59  1.45 -0.00 BFAC
    25.03
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #9 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.6 +TNCS PAK=0 LLG=167 RF++ TFZ=20.3 +TNCS PAK=0 LLG=49
   SOLU SPAC P 32
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.9  138.4 FRAC  0.26  0.78  0.00 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  272.8  108.2  140.5 FRAC  0.26  1.28 -0.01 BFAC 
    0.32
   SOLU 6DIM ENSE ensemble1 EULER  267.3  106.1  135.0 FRAC -0.23  0.80  0.00 BFAC
    22.04
   SOLU 6DIM ENSE ensemble1 EULER  269.3  107.8  138.7 FRAC -0.24  1.30 -0.01 BFAC
    22.04
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   Partial Solution #10 annotation (history):
   SOLU SET  RFZ=3.1 TFZ=2.4 +TNCS PAK=0 LLG=171 RF++ TFZ=19.5 +TNCS PAK=0 LLG=48
   SOLU SPAC P 31
   SOLU 6DIM ENSE ensemble1 EULER  273.1  108.4  140.6 FRAC -0.01  0.50  0.00 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  272.0  106.2  138.1 FRAC -0.01  1.00 -0.01 BFAC 
    0.05
   SOLU 6DIM ENSE ensemble1 EULER  277.0  104.5  140.9 FRAC  0.49  0.99 -0.00 BFAC
    21.45
   SOLU 6DIM ENSE ensemble1 EULER  275.2  105.2  144.4 FRAC  0.48  1.48 -0.00 BFAC
    21.45
   SOLU ENSEMBLE ensemble1 VRMS DELTA +0.3171 RMSD  0.36 #VRMS  0.67

   $$
CPU Time: 0 days 0 hrs 39 mins 30.23 secs (   2370.23 secs)
Finished: Thu Apr 21 18:11:10 2016


--------
ADVISORY
--------

$TEXT:Advisory: $$ Baubles Markup $$


eLLG indicates that placement of ensemble "ensemble1" will be difficult

No Signal in Translation Function

$$


--------
WARNINGS
--------

$TEXT:Warning: $$ Baubles Markup $$
-------------------------------------------------------------------------------------
Packing Component #4
Solutions with Z-scores greater than 10.2 (the threshold indicating a definite
solution) failed the packing test
#1 TFZ=10.2 PAK=513
#6 TFZ=10.3 PAK=516
#7 TFZ=10.3 PAK=516
-------------------------------------------------------------------------------------
$$

$TEXT:Warning: $$ Baubles Markup $$
-------------------------------------------------------------------------------------
Packing Component #6
Solutions with Z-scores greater than  8.0 (the threshold indicating a definite
solution) failed the packing test
#1 TFZ=11.2 PAK=166
#2 TFZ=10.7 PAK=510
#3 TFZ=10.1 PAK=209
#4 TFZ=10.7 PAK=468
#5 TFZ=10.4 PAK=404
#6 TFZ=10.5 PAK=296
#7 TFZ=10.3 PAK=212
#8 TFZ=10.4 PAK=355
#9 TFZ=10.5 PAK=349
#10 TFZ=10.0 PAK=479
#11 TFZ= 9.9 PAK=491
#12 TFZ=11.5 PAK=395
#13 TFZ=10.3 PAK=332
#14 TFZ=10.3 PAK=342
#15 TFZ=10.8 PAK=470
#16 TFZ=10.4 PAK=478
#17 TFZ=10.9 PAK=589
#18 TFZ= 9.8 PAK=503
#19 TFZ=10.4 PAK=477
#20 TFZ=11.3 PAK=395
#21 TFZ=10.6 PAK=245
#22 TFZ=10.2 PAK=547
#23 TFZ=10.3 PAK=342
#24 TFZ=10.3 PAK=429
#25 TFZ= 9.9 PAK=304
#26 TFZ=11.1 PAK=168
#27 TFZ= 9.3 PAK=335
#28 TFZ=10.1 PAK=421
#29 TFZ= 9.6 PAK=547
#30 TFZ=10.4 PAK=359
#31 TFZ=10.5 PAK=596
#32 TFZ=11.0 PAK=282
#33 TFZ=10.7 PAK=174
#34 TFZ=10.9 PAK=476
#35 TFZ=10.1 PAK=495
#36 TFZ=10.3 PAK=499
#37 TFZ= 9.5 PAK=513
#38 TFZ=10.6 PAK=425
#39 TFZ= 8.9 PAK=396
#40 TFZ= 9.2 PAK=332
#41 TFZ= 8.4 PAK=402
#42 TFZ= 9.9 PAK=467
#43 TFZ=10.4 PAK=531
#44 TFZ= 9.3 PAK=498
#45 TFZ=10.7 PAK=174
#46 TFZ= 9.5 PAK=303
#47 TFZ= 8.5 PAK=346
#48 TFZ= 9.0 PAK=375
#49 TFZ= 9.7 PAK=158
#50 TFZ= 8.9 PAK=369
#51 TFZ=10.7 PAK=358
#52 TFZ= 9.9 PAK=360
#53 TFZ= 9.0 PAK=406
#54 TFZ= 8.8 PAK=244
#55 TFZ= 8.8 PAK=576
#56 TFZ= 9.0 PAK=309
#57 TFZ= 9.0 PAK=215
#58 TFZ= 8.1 PAK=470
#59 TFZ=10.4 PAK=294
#60 TFZ= 9.1 PAK=397
#61 TFZ= 8.5 PAK=506
#62 TFZ=10.5 PAK=197
#63 TFZ= 9.4 PAK=494
#64 TFZ= 8.2 PAK=145
#65 TFZ= 9.1 PAK=468
#66 TFZ= 9.6 PAK=441
#67 TFZ= 8.4 PAK=365
#68 TFZ=11.3 PAK=554
#69 TFZ= 9.6 PAK=412
#70 TFZ= 9.6 PAK=442
#71 TFZ= 8.3 PAK=589
#72 TFZ= 9.7 PAK=359
#73 TFZ= 9.6 PAK=399
#74 TFZ= 8.2 PAK=387
#75 TFZ= 8.5 PAK=461
#76 TFZ= 9.7 PAK=450
#77 TFZ= 9.6 PAK=343
#78 TFZ=10.8 PAK=408
-------------------------------------------------------------------------------------
$$

$TEXT:Warning: $$ Baubles Markup $$
-------------------------------------------------------------------------------------
Packing Component #6
Solutions with Z-scores greater than  8.0 (the threshold indicating a definite
solution) failed the packing test
#541 TFZ= 9.0 PAK=248
#542 TFZ=10.7 PAK=167
#543 TFZ=10.7 PAK=356
#544 TFZ= 8.8 PAK=247
#545 TFZ= 9.3 PAK=466
#546 TFZ= 9.5 PAK=500
#547 TFZ= 9.0 PAK=311
#548 TFZ= 9.4 PAK=465
#549 TFZ= 9.1 PAK=513
#550 TFZ= 9.2 PAK=383
#551 TFZ= 8.5 PAK=481
#552 TFZ= 8.9 PAK=321
#553 TFZ= 9.0 PAK=477
#554 TFZ= 9.6 PAK=394
#555 TFZ= 8.4 PAK=377
#556 TFZ= 9.6 PAK=463
#557 TFZ= 9.7 PAK=175
#558 TFZ= 8.5 PAK=377
#559 TFZ= 9.9 PAK=361
#560 TFZ= 9.6 PAK=387
#561 TFZ= 9.1 PAK=481
#562 TFZ= 9.9 PAK=491
#563 TFZ= 9.0 PAK=378
#564 TFZ= 8.2 PAK=381
#565 TFZ= 8.2 PAK=149
#566 TFZ= 9.5 PAK=318
#567 TFZ= 9.2 PAK=334
#568 TFZ=11.3 PAK=597
#569 TFZ= 9.6 PAK=449
#570 TFZ= 8.1 PAK=470
#571 TFZ= 8.9 PAK=376
#572 TFZ= 8.9 PAK=360
#573 TFZ= 9.1 PAK=351
#574 TFZ= 8.5 PAK=483
#575 TFZ= 8.8 PAK=583
#576 TFZ=10.9 PAK=590
#577 TFZ=10.4 PAK=319
#578 TFZ= 8.8 PAK=336
#579 TFZ=10.8 PAK=374
#580 TFZ=10.3 PAK=252
#581 TFZ= 8.3 PAK=576
#582 TFZ= 8.7 PAK=602
#583 TFZ= 9.8 PAK=490
#584 TFZ= 9.7 PAK=379
#585 TFZ=10.3 PAK=481
#586 TFZ= 8.4 PAK=412
#587 TFZ=11.5 PAK=375
#588 TFZ=10.3 PAK=320
#589 TFZ= 9.0 PAK=347
#590 TFZ= 9.6 PAK=373
#591 TFZ=11.2 PAK=143
#592 TFZ=10.7 PAK=375
#593 TFZ=10.4 PAK=503
#594 TFZ=10.2 PAK=572
#595 TFZ=10.1 PAK=470
#596 TFZ=10.3 PAK=498
#597 TFZ=10.6 PAK=434
#598 TFZ=11.3 PAK=359
#599 TFZ= 9.6 PAK=363
#600 TFZ=10.4 PAK=505
#601 TFZ= 9.6 PAK=506
#602 TFZ= 9.9 PAK=351
#603 TFZ=10.9 PAK=461
#604 TFZ=10.1 PAK=243
#605 TFZ=10.7 PAK=484
#606 TFZ= 9.3 PAK=365
#607 TFZ= 9.9 PAK=490
#608 TFZ=11.1 PAK=357
#609 TFZ=10.5 PAK=512
#610 TFZ=11.1 PAK=146
#611 TFZ=10.7 PAK=383
#612 TFZ=10.4 PAK=357
#613 TFZ= 9.7 PAK=493
#614 TFZ=11.0 PAK=278
#615 TFZ=10.3 PAK=439
#616 TFZ= 8.2 PAK=428
#617 TFZ=10.4 PAK=504
#618 TFZ=10.8 PAK=449
#619 TFZ=10.4 PAK=386
#620 TFZ= 9.9 PAK=584
#621 TFZ=10.5 PAK=387
#622 TFZ=10.5 PAK=391
#623 TFZ=10.1 PAK=379
#624 TFZ=10.6 PAK=265
#625 TFZ=10.7 PAK=172
#626 TFZ=10.5 PAK=162
#627 TFZ=10.3 PAK=381
#628 TFZ=10.2 PAK=317
#629 TFZ= 9.7 PAK=380
#630 TFZ=10.3 PAK=419
#631 TFZ=10.4 PAK=416
#632 TFZ=10.3 PAK=331
#633 TFZ=10.0 PAK=479
These solutions were carried in solution list
-------------------------------------------------------------------------------------
$$

$TEXT:Warning: $$ Baubles Markup $$
-------------------------------------------------------------------------------------
Search request requires more scattering than defined in composition. Composition
increased to accommodate search components.
-------------------------------------------------------------------------------------
$$




--------------------
EXIT STATUS: SUCCESS
--------------------


CPU Time: 0 days 0 hrs 39 mins 30.23 secs (   2370.23 secs)
Finished: Thu Apr 21 18:11:10 2016
#CCP4I TERMINATION STATUS 1 #CCP4I TERMINATION TIME 21 Apr 2016 18:11:20 #CCP4I TERMINATION OUTPUT_FILES /home/cqx/Desktop/160418/B-2/CCP4i/0418B2_3.sol 0418B2 /home/cqx/Desktop/160418/B-2/CCP4i/0418B2_3.1.mtz 0418B2 /home/cqx/Desktop/160418/B-2/CCP4i/0418B2_3.1.pdb 0418B2 #CCP4I MESSAGE Task completed successfully