*HEADER    NEUROPEPTIDE                            26-OCT-06   2NOU              
*TITLE     MEMBRANE INDUCED STRUCTURE OF SCYLIORHININ I: A DUAL                  
*TITLE    2 NK1/NK2 AGONIST                                                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SCYLIORHININ I;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED                
*KEYWDS    HELIX, 3-10 HELIX, LIPID INDUCED CONFORMATION, DPC MICELLES           
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    A.DIKE, S.M.COWSIK                                                    
*REVDAT   1   14-NOV-06 2NOU    0                                                


DISTANCE CONSTRAINTS
1 ALA 
         HA      1 ALA  QB      3.50
2 LYS
         HN      3 PHE   HN     3.00 
         HN      1 ALA  HA      3.50
         HN      1 ALA  QB      4.00
         HN      2 LYS  HA      3.00
         HN      2 LYS  QB      3.50
         HN      2 LYS  QD      4.50
         HN      2 LYS  QG      4.50
         HA      2 LYS  QB      3.50           
  3 PHE   
         HN       4 ASP HN      3.00 
         HN      3 PHE  HA      3.00
         HN      3 PHE  HB2    3.50
         HN      3 PHE  HB3    4.00
         HN      2 LYS  HA      3.50
         HN      2 LYS  QB      4.00
         HN      1 ALA HA      4.00
         HA      3 PHE  HB2    3.50
         HA      3 PHE  HB3    4.00
         HN      3 PHE  QR      5.00        
  4 ASP
         HN      5 LYS  HN      3.00
         HN      6 PHE  HN      4.50
         HN      4 ASP  HA      3.00
         HN      3 PHE  HA      3.50
         HN      3 PHE  HB2    4.00
         HN      3 PHE  HB3    4.50
         HN      2 LYS  HA      4.00
         HN      1 ALA  HA     4.80 
         HN      4 ASP  QB      3.50 
         HA      4 ASP  QB      3.50 

  5 LYS
         HN      6 PHE  HN      3.00
         HN      7 TYR  HN      4.50
         HN      5 LYS  HA      3.00
         HN      4 ASP  HA      3.50
         HN      4 ASP  QB      4.00 
         HN      2 LYS  HA      4.50
         HN      3 PHE  HA      4.00
         HN      5 LYS  QB      3.50
         HA      5 LYS  QB      3.50
         HN      5 LYS  QD      5.00
         HN      5 LYS  QG      4.50

6 PHE
         HN      7 TYR HN      3.00
         HN      8 GLY HN      4.50
         HN      6 PHE  HA      3.00
         HN      4 ASP  HA      4.00
         HN      5 LYS  HA      3.50
         HN      5 LYS  QB      4.00
         HN      3 PHE  HA      4.50
         HN      2 LYS  HA      4.50
         HN      6 PHE  HB2    3.50
         HN      6 PHE  HB3    4.00
         HA      6 PHE  HB2    4.00
         HA      6 PHE  HB3    4.50
         HN      6 PHE  QR      5.00     
   
 7 TYR
         HN      8 GLY  HN      3.00
         HN      9 LEU  HN      4.50
         HN      5 LYS  HA      4.00
         HN      6 PHE  HA       3.50
         HN      6 PHE  HB2     4.00
         HN      6 PHE  HB3     4.50
         HN      4 ASP  HA       4.50
         HN      7 TYR  HA       3.00
         HN      7 TYR  HB2     3.50
         HN      7 TYR  HB3     4.00
         HA      7 TYR  HB2     4.00
         HA      7 TYR  HB3     4.00
         HA     10 MET  QB      4.50

  8 GLY 
         HN      9 LEU  HN        3.00
         HN    10 MET  HN        4.50
         HN      7 TYR  HA        3.50
         HN      7 TYR  HB2      4.00
         HN      7 TYR  HB3      4.50
         HN      8 GLY  HA1      3.00
         HN      6 PHE  HA        4.00
         HN      5 LYS  HA        4.50

  9 LEU
         HN    10 MET  HN       3.00
         HN      9 LEU  HA        3.00
         HN      8 GLY  HA1     3.50
         HN      7 TYR  HA        4.00
         HN      6 PHE  HA        4.50
         HN      5 LYS  HA        4.50
         HN      9 LEU  QB        3.50
         HN      9 LEU  HG        4.20
         HA      9 LEU  QB        3.50
         HN      9 LEU  QQD    5.00

  10 MET
         HN     10 MET HA       3.00 
         HN     10 MET  QG      4.50
         HN     10 MET  HG2    5.00
         HN     10 MET  QB      3.50
         HN     10 MET  HB2    4.00
         HN      9 LEU  HA        3.50
         HN      9 LEU  QB        4.00
         HN      8 GLY  HA1     4.00
         HN      7 TYR  HA       4.50
         HN      6 PHE  HA       4.50
         

ANGLE CONSTRAINTS
2 LYS   PHI    -85.0   -65.0   
3 PHE   PHI    -75.0   -55.0
 4 ASP   PHI    -85.0   -65.0 
5 LYS   PHI    -75.0   -55.0   
6 PHE   PHI    -75.0   -55.0  
 7 TYR   PHI    -75.0   -55.0   
8 GLY   PHI    -75.0   -55.0  
 9 LEU   PHI    -85.0   -65.0  
10 MET   PHI    -90.0   -70.0
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   1          H         ALA   1  -1.747   4.471   4.848
    2    HA   ALA   1           HA       ALA   1  -2.282   4.955   2.004
    3   1HB   ALA   1          1HB       ALA   1  -0.236   3.922   1.996
    4   2HB   ALA   1          2HB       ALA   1  -0.512   3.123   3.562
    5   3HB   ALA   1          3HB       ALA   1  -1.246   2.460   2.083
    6    H    LYS   2           H        LYS   2  -4.224   4.327   1.213
    7    HA   LYS   2           HA       LYS   2  -5.930   2.744   2.922
    8   1HB   LYS   2          2HB       LYS   2  -6.354   4.254   0.337
    9   2HB   LYS   2          3HB       LYS   2  -7.588   3.225   1.034
   10   1HG   LYS   2          2HG       LYS   2  -6.232   5.522   2.523
   11   2HG   LYS   2          3HG       LYS   2  -7.781   5.654   1.714
   12   1HD   LYS   2          2HD       LYS   2  -7.870   3.317   3.406
   13   2HD   LYS   2          3HD       LYS   2  -7.225   4.639   4.358
   14   1HE   LYS   2          2HE       LYS   2  -9.261   5.974   3.160
   15   2HE   LYS   2          3HE       LYS   2  -9.937   4.358   3.086
   16   1HZ   LYS   2          1HZ       LYS   2  -8.787   5.170   5.648
   17   2HZ   LYS   2          2HZ       LYS   2 -10.193   5.879   5.230
   18    H    PHE   3           H        PHE   3  -3.775   2.343   0.189
   19    HA   PHE   3           HA       PHE   3  -5.002   0.068  -0.919
   20   1HB   PHE   3          2HB       PHE   3  -2.395   1.570  -0.961
   21   2HB   PHE   3          3HB       PHE   3  -2.258  -0.116  -1.417
   22    HD1  PHE   3           HD1      PHE   3  -3.112   3.158  -2.518
   23    HD2  PHE   3           HD2      PHE   3  -3.796  -0.957  -3.298
   24    HE1  PHE   3           HE1      PHE   3  -3.873   3.725  -4.842
   25    HE2  PHE   3           HE2      PHE   3  -4.556  -0.390  -5.623
   26    HZ   PHE   3           HZ       PHE   3  -4.586   1.944  -6.367
   27    H    ASP   4           H        ASP   4  -2.949   0.606   1.907
   28    HA   ASP   4           HA       ASP   4  -2.185  -2.141   2.044
   29   1HB   ASP   4          2HB       ASP   4  -0.685  -0.357   2.878
   30   2HB   ASP   4          3HB       ASP   4  -1.911   0.181   4.009
   31    HD2  ASP   4           HD2      ASP   4   0.662  -1.760   5.580
   32    H    LYS   5           H        LYS   5  -4.792  -0.029   3.085
   33    HA   LYS   5           HA       LYS   5  -5.574  -1.575   5.352
   34   1HB   LYS   5          2HB       LYS   5  -6.510   0.847   3.923
   35   2HB   LYS   5          3HB       LYS   5  -7.758  -0.079   4.732
   36   1HG   LYS   5          2HG       LYS   5  -5.168   0.597   6.170
   37   2HG   LYS   5          3HG       LYS   5  -6.468   1.769   6.086
   38   1HD   LYS   5          2HD       LYS   5  -7.992   0.328   7.270
   39   2HD   LYS   5          3HD       LYS   5  -6.971  -1.077   7.041
   40   1HE   LYS   5          2HE       LYS   5  -5.238  -0.105   8.524
   41   2HE   LYS   5          3HE       LYS   5  -6.174   1.367   8.694
   42   1HZ   LYS   5          1HZ       LYS   5  -6.791  -1.300   9.782
   43   2HZ   LYS   5          2HZ       LYS   5  -6.785   0.132  10.556
   44    H    PHE   6           H        PHE   6  -6.125  -1.634   1.861
   45    HA   PHE   6           HA       PHE   6  -8.508  -3.083   1.862
   46   1HB   PHE   6          2HB       PHE   6  -6.199  -2.401   0.069
   47   2HB   PHE   6          3HB       PHE   6  -7.028  -3.875  -0.390
   48    HD1  PHE   6           HD1      PHE   6  -6.837  -0.664  -1.296
   49    HD2  PHE   6           HD2      PHE   6  -9.805  -3.397   0.023
   50    HE1  PHE   6           HE1      PHE   6  -8.602   0.690  -2.459
   51    HE2  PHE   6           HE2      PHE   6 -11.568  -2.042  -1.141
   52    HZ   PHE   6           HZ       PHE   6 -10.946  -0.015  -2.368
   53    H    TYR   7           H        TYR   7  -5.087  -4.052   2.244
   54    HA   TYR   7           HA       TYR   7  -5.605  -6.827   1.843
   55   1HB   TYR   7          2HB       TYR   7  -3.421  -4.941   2.794
   56   2HB   TYR   7          3HB       TYR   7  -3.240  -6.625   3.242
   57    HD1  TYR   7           HD1      TYR   7  -2.429  -4.239   0.818
   58    HD2  TYR   7           HD2      TYR   7  -3.614  -8.334   1.189
   59    HE1  TYR   7           HE1      TYR   7  -1.424  -4.745  -1.462
   60    HE2  TYR   7           HE2      TYR   7  -2.604  -8.824  -1.093
   61    HH   TYR   7           HH       TYR   7  -0.572  -6.581  -2.684
   62    H    GLY   8           H        GLY   8  -5.818  -4.565   4.550
   63   1HA   GLY   8          1HA       GLY   8  -5.637  -6.550   6.609
   64   2HA   GLY   8          2HA       GLY   8  -6.142  -4.880   6.770
   65    H    LEU   9           H        LEU   9  -8.189  -5.193   4.527
   66    HA   LEU   9           HA       LEU   9 -10.274  -6.237   6.233
   67   1HB   LEU   9          2HB       LEU   9 -10.787  -4.172   5.284
   68   2HB   LEU   9          3HB       LEU   9 -10.171  -4.623   3.707
   69    HG   LEU   9           HG       LEU   9 -12.100  -6.285   3.563
   70   1HD1  LEU   9          1HD1      LEU   9 -12.682  -5.019   6.177
   71   2HD1  LEU   9          2HD1      LEU   9 -14.067  -5.234   5.080
   72   3HD1  LEU   9          3HD1      LEU   9 -13.086  -6.639   5.561
   73   1HD2  LEU   9          1HD2      LEU   9 -11.934  -3.527   2.987
   74   2HD2  LEU   9          2HD2      LEU   9 -12.977  -4.752   2.223
   75   3HD2  LEU   9          3HD2      LEU   9 -13.574  -3.817   3.617
   76    H    MET  10           H        MET  10  -8.238  -7.270   3.602
   77    HA   MET  10           HA       MET  10 -10.060  -9.124   2.516
   78   1HB   MET  10          2HB       MET  10  -7.467  -8.094   1.940
   79   2HB   MET  10          3HB       MET  10  -7.204  -9.806   2.209
   80   1HG   MET  10          2HG       MET  10  -9.444  -8.831   0.391
   81   2HG   MET  10          3HG       MET  10  -7.810  -9.018  -0.211
   82   1HE   MET  10          1HE       MET  10  -6.837 -10.650  -0.932
   83   2HE   MET  10          2HE       MET  10  -6.661 -12.154   0.005
   84   3HE   MET  10          3HE       MET  10  -7.653 -12.136  -1.474
  Start of MODEL    2
    1   1H    ALA   1          H         ALA   1  -1.113   5.374   4.154
    2    HA   ALA   1           HA       ALA   1  -2.277   4.967   1.920
    3   1HB   ALA   1          1HB       ALA   1  -0.627   3.470   1.520
    4   2HB   ALA   1          2HB       ALA   1  -0.161   3.738   3.218
    5   3HB   ALA   1          3HB       ALA   1  -1.205   2.361   2.788
    6    H    LYS   2           H        LYS   2  -4.220   4.332   1.139
    7    HA   LYS   2           HA       LYS   2  -5.931   2.778   2.869
    8   1HB   LYS   2          2HB       LYS   2  -6.255   4.712   0.734
    9   2HB   LYS   2          3HB       LYS   2  -7.222   3.285   0.420
   10   1HG   LYS   2          2HG       LYS   2  -8.701   4.452   1.780
   11   2HG   LYS   2          3HG       LYS   2  -7.860   3.523   3.004
   12   1HD   LYS   2          2HD       LYS   2  -6.509   6.077   2.320
   13   2HD   LYS   2          3HD       LYS   2  -8.116   6.293   2.984
   14   1HE   LYS   2          2HE       LYS   2  -7.357   5.827   5.071
   15   2HE   LYS   2          3HE       LYS   2  -6.779   4.259   4.543
   16   1HZ   LYS   2          1HZ       LYS   2  -4.945   5.611   5.361
   17   2HZ   LYS   2          2HZ       LYS   2  -4.728   5.359   3.767
   18    H    PHE   3           H        PHE   3  -3.767   2.331   0.154
   19    HA   PHE   3           HA       PHE   3  -5.000   0.040  -0.921
   20   1HB   PHE   3          2HB       PHE   3  -2.357   1.505  -0.967
   21   2HB   PHE   3          3HB       PHE   3  -2.292  -0.170  -1.478
   22    HD1  PHE   3           HD1      PHE   3  -2.741  -0.698  -3.689
   23    HD2  PHE   3           HD2      PHE   3  -4.194   2.970  -2.126
   24    HE1  PHE   3           HE1      PHE   3  -3.521  -0.031  -5.979
   25    HE2  PHE   3           HE2      PHE   3  -4.975   3.637  -4.417
   26    HZ   PHE   3           HZ       PHE   3  -4.629   2.128  -6.315
   27    H    ASP   4           H        ASP   4  -2.950   0.627   1.895
   28    HA   ASP   4           HA       ASP   4  -2.168  -2.112   2.070
   29   1HB   ASP   4          2HB       ASP   4  -1.137   0.260   3.034
   30   2HB   ASP   4          3HB       ASP   4  -1.947  -0.341   4.466
   31    HD2  ASP   4           HD2      ASP   4   0.816  -1.091   5.273
   32    H    LYS   5           H        LYS   5  -4.786   0.000   3.085
   33    HA   LYS   5           HA       LYS   5  -5.562  -1.525   5.370
   34   1HB   LYS   5          2HB       LYS   5  -5.990   1.001   4.713
   35   2HB   LYS   5          3HB       LYS   5  -7.410   0.344   3.925
   36   1HG   LYS   5          2HG       LYS   5  -8.116   0.887   6.149
   37   2HG   LYS   5          3HG       LYS   5  -7.951  -0.858   6.130
   38   1HD   LYS   5          2HD       LYS   5  -5.436   0.535   6.849
   39   2HD   LYS   5          3HD       LYS   5  -6.746   0.868   7.964
   40   1HE   LYS   5          2HE       LYS   5  -6.512  -1.181   8.907
   41   2HE   LYS   5          3HE       LYS   5  -6.805  -1.956   7.363
   42   1HZ   LYS   5          1HZ       LYS   5  -4.422  -1.954   8.690
   43   2HZ   LYS   5          2HZ       LYS   5  -4.609  -2.352   7.122
   44    H    PHE   6           H        PHE   6  -6.119  -1.617   1.878
   45    HA   PHE   6           HA       PHE   6  -8.494  -3.075   1.893
   46   1HB   PHE   6          2HB       PHE   6  -6.191  -2.400   0.094
   47   2HB   PHE   6          3HB       PHE   6  -7.003  -3.889  -0.347
   48    HD1  PHE   6           HD1      PHE   6  -7.164  -0.295  -0.376
   49    HD2  PHE   6           HD2      PHE   6  -9.466  -3.827  -0.862
   50    HE1  PHE   6           HE1      PHE   6  -8.939   1.026  -1.559
   51    HE2  PHE   6           HE2      PHE   6 -11.241  -2.506  -2.045
   52    HZ   PHE   6           HZ       PHE   6 -10.957  -0.096  -2.380
   53    H    TYR   7           H        TYR   7  -5.071  -4.031   2.285
   54    HA   TYR   7           HA       TYR   7  -5.580  -6.813   1.917
   55   1HB   TYR   7          2HB       TYR   7  -3.418  -5.067   1.950
   56   2HB   TYR   7          3HB       TYR   7  -3.293  -5.720   3.571
   57    HD1  TYR   7           HD1      TYR   7  -1.805  -7.473   3.812
   58    HD2  TYR   7           HD2      TYR   7  -3.926  -7.075   0.118
   59    HE1  TYR   7           HE1      TYR   7  -0.598  -9.512   2.891
   60    HE2  TYR   7           HE2      TYR   7  -2.711  -9.115  -0.791
   61    HH   TYR   7           HH       TYR   7   0.013 -10.416   0.731
   62    H    GLY   8           H        GLY   8  -5.799  -4.519   4.597
   63   1HA   GLY   8          1HA       GLY   8  -5.610  -6.480   6.680
   64   2HA   GLY   8          2HA       GLY   8  -6.121  -4.810   6.821
   65    H    LEU   9           H        LEU   9  -8.168  -5.155   4.584
   66    HA   LEU   9           HA       LEU   9 -10.249  -6.186   6.302
   67   1HB   LEU   9          2HB       LEU   9 -11.375  -4.544   5.375
   68   2HB   LEU   9          3HB       LEU   9 -10.016  -4.171   4.334
   69    HG   LEU   9           HG       LEU   9 -10.963  -6.077   2.818
   70   1HD1  LEU   9          1HD1      LEU   9 -13.618  -5.294   3.946
   71   2HD1  LEU   9          2HD1      LEU   9 -13.136  -6.753   3.049
   72   3HD1  LEU   9          3HD1      LEU   9 -12.683  -6.571   4.761
   73   1HD2  LEU   9          1HD2      LEU   9 -12.463  -3.452   3.005
   74   2HD2  LEU   9          2HD2      LEU   9 -10.843  -3.645   2.290
   75   3HD2  LEU   9          3HD2      LEU   9 -12.242  -4.477   1.567
   76    H    MET  10           H        MET  10  -8.212  -7.243   3.681
   77    HA   MET  10           HA       MET  10 -10.083  -9.216   2.792
   78   1HB   MET  10          2HB       MET  10  -7.154  -8.573   2.172
   79   2HB   MET  10          3HB       MET  10  -7.965  -9.946   1.445
   80   1HG   MET  10          2HG       MET  10  -9.465  -7.369   1.260
   81   2HG   MET  10          3HG       MET  10  -7.954  -7.404   0.373
   82   1HE   MET  10          1HE       MET  10  -9.169  -7.680  -2.425
   83   2HE   MET  10          2HE       MET  10  -7.642  -8.008  -1.570
   84   3HE   MET  10          3HE       MET  10  -8.395  -9.276  -2.566
  Start of MODEL    3
    1   1H    ALA   1          H         ALA   1  -2.564   4.688   4.779
    2    HA   ALA   1           HA       ALA   1  -2.324   5.029   1.974
    3   1HB   ALA   1          1HB       ALA   1  -0.191   4.065   2.037
    4   2HB   ALA   1          2HB       ALA   1  -0.612   2.978   3.383
    5   3HB   ALA   1          3HB       ALA   1  -1.240   2.655   1.749
    6    H    LYS   2           H        LYS   2  -4.246   4.339   1.169
    7    HA   LYS   2           HA       LYS   2  -5.924   2.759   2.907
    8   1HB   LYS   2          2HB       LYS   2  -6.282   4.657   0.715
    9   2HB   LYS   2          3HB       LYS   2  -7.296   3.240   0.528
   10   1HG   LYS   2          2HG       LYS   2  -8.664   4.539   1.897
   11   2HG   LYS   2          3HG       LYS   2  -7.808   3.613   3.113
   12   1HD   LYS   2          2HD       LYS   2  -6.144   5.858   2.552
   13   2HD   LYS   2          3HD       LYS   2  -7.774   6.492   2.641
   14   1HE   LYS   2          2HE       LYS   2  -7.135   6.567   4.897
   15   2HE   LYS   2          3HE       LYS   2  -7.965   5.024   4.833
   16   1HZ   LYS   2          1HZ       LYS   2  -5.634   4.085   4.320
   17   2HZ   LYS   2          2HZ       LYS   2  -5.052   5.500   4.880
   18    H    PHE   3           H        PHE   3  -3.789   2.350   0.161
   19    HA   PHE   3           HA       PHE   3  -5.004   0.061  -0.926
   20   1HB   PHE   3          2HB       PHE   3  -2.062   0.960  -0.799
   21   2HB   PHE   3          3HB       PHE   3  -2.718  -0.157  -1.980
   22    HD1  PHE   3           HD1      PHE   3  -4.885   0.885  -3.255
   23    HD2  PHE   3           HD2      PHE   3  -1.704   3.106  -1.535
   24    HE1  PHE   3           HE1      PHE   3  -5.398   2.805  -4.787
   25    HE2  PHE   3           HE2      PHE   3  -2.217   5.026  -3.068
   26    HZ   PHE   3           HZ       PHE   3  -4.057   4.853  -4.675
   27    H    ASP   4           H        ASP   4  -2.952   0.625   1.896
   28    HA   ASP   4           HA       ASP   4  -2.178  -2.117   2.052
   29   1HB   ASP   4          2HB       ASP   4  -1.147   0.252   3.036
   30   2HB   ASP   4          3HB       ASP   4  -1.945  -0.377   4.464
   31    HD2  ASP   4           HD2      ASP   4   0.597  -2.786   2.667
   32    H    LYS   5           H        LYS   5  -4.791  -0.008   3.080
   33    HA   LYS   5           HA       LYS   5  -5.568  -1.542   5.358
   34   1HB   LYS   5          2HB       LYS   5  -6.224   0.977   4.177
   35   2HB   LYS   5          3HB       LYS   5  -7.709   0.061   4.342
   36   1HG   LYS   5          2HG       LYS   5  -7.667   0.839   6.499
   37   2HG   LYS   5          3HG       LYS   5  -6.561  -0.493   6.765
   38   1HD   LYS   5          2HD       LYS   5  -5.518   2.199   5.820
   39   2HD   LYS   5          3HD       LYS   5  -5.851   1.927   7.519
   40   1HE   LYS   5          2HE       LYS   5  -4.404  -0.357   6.836
   41   2HE   LYS   5          3HE       LYS   5  -3.647   0.870   5.839
   42   1HZ   LYS   5          1HZ       LYS   5  -2.699   0.672   8.132
   43   2HZ   LYS   5          2HZ       LYS   5  -3.201   2.182   7.785
   44    H    PHE   6           H        PHE   6  -6.120  -1.624   1.866
   45    HA   PHE   6           HA       PHE   6  -8.499  -3.081   1.877
   46   1HB   PHE   6          2HB       PHE   6  -6.194  -2.400   0.080
   47   2HB   PHE   6          3HB       PHE   6  -7.011  -3.885  -0.367
   48    HD1  PHE   6           HD1      PHE   6  -9.452  -3.823  -0.923
   49    HD2  PHE   6           HD2      PHE   6  -7.185  -0.283  -0.338
   50    HE1  PHE   6           HE1      PHE   6 -11.225  -2.493  -2.099
   51    HE2  PHE   6           HE2      PHE   6  -8.959   1.047  -1.515
   52    HZ   PHE   6           HZ       PHE   6 -10.958  -0.074  -2.381
   53    H    TYR   7           H        TYR   7  -5.076  -4.037   2.266
   54    HA   TYR   7           HA       TYR   7  -5.585  -6.817   1.886
   55   1HB   TYR   7          2HB       TYR   7  -3.403  -4.930   2.858
   56   2HB   TYR   7          3HB       TYR   7  -3.218  -6.625   3.257
   57    HD1  TYR   7           HD1      TYR   7  -3.317  -4.170   0.509
   58    HD2  TYR   7           HD2      TYR   7  -2.704  -8.275   1.547
   59    HE1  TYR   7           HE1      TYR   7  -2.316  -4.608  -1.787
   60    HE2  TYR   7           HE2      TYR   7  -1.705  -8.699  -0.753
   61    HH   TYR   7           HH       TYR   7  -2.035  -7.508  -3.105
   62    H    GLY   8           H        GLY   8  -5.804  -4.535   4.576
   63   1HA   GLY   8          1HA       GLY   8  -5.616  -6.505   6.650
   64   2HA   GLY   8          2HA       GLY   8  -6.126  -4.835   6.798
   65    H    LEU   9           H        LEU   9  -8.173  -5.171   4.558
   66    HA   LEU   9           HA       LEU   9 -10.255  -6.209   6.274
   67   1HB   LEU   9          2HB       LEU   9 -10.095  -4.515   3.829
   68   2HB   LEU   9          3HB       LEU   9 -11.573  -5.417   4.101
   69    HG   LEU   9           HG       LEU   9 -10.520  -3.824   6.391
   70   1HD1  LEU   9          1HD1      LEU   9 -10.184  -2.099   4.899
   71   2HD1  LEU   9          2HD1      LEU   9 -11.492  -2.632   3.816
   72   3HD1  LEU   9          3HD1      LEU   9 -11.884  -1.846   5.364
   73   1HD2  LEU   9          1HD2      LEU   9 -13.328  -3.542   5.694
   74   2HD2  LEU   9          2HD2      LEU   9 -12.845  -5.249   5.837
   75   3HD2  LEU   9          3HD2      LEU   9 -12.571  -4.131   7.194
   76    H    MET  10           H        MET  10  -8.217  -7.255   3.648
   77    HA   MET  10           HA       MET  10 -10.099  -9.263   2.820
   78   1HB   MET  10          2HB       MET  10  -7.854  -7.901   1.683
   79   2HB   MET  10          3HB       MET  10  -7.349  -9.573   1.825
   80   1HG   MET  10          2HG       MET  10  -8.410  -9.718  -0.230
   81   2HG   MET  10          3HG       MET  10  -9.798 -10.031   0.791
   82   1HE   MET  10          1HE       MET  10 -10.899  -9.398  -1.548
   83   2HE   MET  10          2HE       MET  10 -11.110  -7.728  -2.126
   84   3HE   MET  10          3HE       MET  10  -9.550  -8.557  -2.349
  Start of MODEL    4
    1   1H    ALA   1          H         ALA   1  -1.538   6.189   3.523
    2    HA   ALA   1           HA       ALA   1  -2.468   5.191   1.686
    3   1HB   ALA   1          1HB       ALA   1  -0.084   4.357   2.340
    4   2HB   ALA   1          2HB       ALA   1  -0.903   2.828   2.742
    5   3HB   ALA   1          3HB       ALA   1  -0.983   3.469   1.085
    6    H    LYS   2           H        LYS   2  -4.439   4.402   1.156
    7    HA   LYS   2           HA       LYS   2  -5.786   2.720   3.079
    8   1HB   LYS   2          2HB       LYS   2  -6.595   4.294   0.652
    9   2HB   LYS   2          3HB       LYS   2  -7.644   3.022   1.243
   10   1HG   LYS   2          2HG       LYS   2  -8.410   4.404   2.865
   11   2HG   LYS   2          3HG       LYS   2  -6.798   4.506   3.544
   12   1HD   LYS   2          2HD       LYS   2  -6.246   6.448   2.241
   13   2HD   LYS   2          3HD       LYS   2  -7.594   6.204   1.150
   14   1HE   LYS   2          2HE       LYS   2  -9.117   7.180   2.584
   15   2HE   LYS   2          3HE       LYS   2  -8.363   6.508   4.016
   16   1HZ   LYS   2          1HZ       LYS   2  -8.135   9.081   3.295
   17   2HZ   LYS   2          2HZ       LYS   2  -7.037   8.327   4.233
   18    H    PHE   3           H        PHE   3  -3.791   2.367   0.289
   19    HA   PHE   3           HA       PHE   3  -4.988   0.091  -0.837
   20   1HB   PHE   3          2HB       PHE   3  -2.402   1.622  -0.859
   21   2HB   PHE   3          3HB       PHE   3  -2.229  -0.064  -1.308
   22    HD1  PHE   3           HD1      PHE   3  -4.192  -0.844  -3.031
   23    HD2  PHE   3           HD2      PHE   3  -2.676   3.095  -2.599
   24    HE1  PHE   3           HE1      PHE   3  -4.940  -0.299  -5.364
   25    HE2  PHE   3           HE2      PHE   3  -3.424   3.640  -4.931
   26    HZ   PHE   3           HZ       PHE   3  -4.548   1.936  -6.286
   27    H    ASP   4           H        ASP   4  -2.950   0.611   2.005
   28    HA   ASP   4           HA       ASP   4  -2.172  -2.132   2.116
   29   1HB   ASP   4          2HB       ASP   4  -0.868  -1.506   3.984
   30   2HB   ASP   4          3HB       ASP   4  -0.868  -0.058   2.997
   31    HD2  ASP   4           HD2      ASP   4  -0.293   0.306   5.496
   32    H    LYS   5           H        LYS   5  -4.792  -0.045   3.171
   33    HA   LYS   5           HA       LYS   5  -5.577  -1.622   5.417
   34   1HB   LYS   5          2HB       LYS   5  -5.996   0.912   4.856
   35   2HB   LYS   5          3HB       LYS   5  -7.391   0.301   3.990
   36   1HG   LYS   5          2HG       LYS   5  -8.178  -0.869   6.042
   37   2HG   LYS   5          3HG       LYS   5  -6.761  -0.319   6.915
   38   1HD   LYS   5          2HD       LYS   5  -7.468   1.951   6.903
   39   2HD   LYS   5          3HD       LYS   5  -8.564   1.707   5.558
   40   1HE   LYS   5          2HE       LYS   5  -9.370  -0.069   7.691
   41   2HE   LYS   5          3HE       LYS   5  -9.136   1.525   8.379
   42   1HZ   LYS   5          1HZ       LYS   5 -11.404   1.038   7.357
   43   2HZ   LYS   5          2HZ       LYS   5 -10.716   2.440   6.894
   44    H    PHE   6           H        PHE   6  -6.131  -1.625   1.922
   45    HA   PHE   6           HA       PHE   6  -8.502  -3.089   1.899
   46   1HB   PHE   6          2HB       PHE   6  -6.179  -2.402   0.116
   47   2HB   PHE   6          3HB       PHE   6  -7.050  -3.843  -0.369
   48    HD1  PHE   6           HD1      PHE   6  -9.823  -3.218   0.192
   49    HD2  PHE   6           HD2      PHE   6  -6.764  -0.701  -1.331
   50    HE1  PHE   6           HE1      PHE   6 -11.556  -1.792  -0.934
   51    HE2  PHE   6           HE2      PHE   6  -8.497   0.723  -2.457
   52    HZ   PHE   6           HZ       PHE   6 -10.872   0.161  -2.245
   53    H    TYR   7           H        TYR   7  -5.078  -4.048   2.272
   54    HA   TYR   7           HA       TYR   7  -5.582  -6.820   1.831
   55   1HB   TYR   7          2HB       TYR   7  -3.423  -5.078   1.903
   56   2HB   TYR   7          3HB       TYR   7  -3.300  -5.755   3.515
   57    HD1  TYR   7           HD1      TYR   7  -1.923  -6.037   0.428
   58    HD2  TYR   7           HD2      TYR   7  -3.808  -8.531   3.347
   59    HE1  TYR   7           HE1      TYR   7  -0.709  -8.063  -0.510
   60    HE2  TYR   7           HE2      TYR   7  -2.588 -10.550   2.399
   61    HH   TYR   7           HH       TYR   7  -0.822 -11.147   1.124
   62    H    GLY   8           H        GLY   8  -5.809  -4.596   4.569
   63   1HA   GLY   8          1HA       GLY   8  -5.621  -6.610   6.601
   64   2HA   GLY   8          2HA       GLY   8  -6.134  -4.944   6.784
   65    H    LEU   9           H        LEU   9  -8.176  -5.236   4.536
   66    HA   LEU   9           HA       LEU   9 -10.259  -6.313   6.224
   67   1HB   LEU   9          2HB       LEU   9 -10.050  -4.195   4.437
   68   2HB   LEU   9          3HB       LEU   9 -11.044  -5.363   3.589
   69    HG   LEU   9           HG       LEU   9 -11.909  -5.058   6.352
   70   1HD1  LEU   9          1HD1      LEU   9 -12.769  -2.771   6.183
   71   2HD1  LEU   9          2HD1      LEU   9 -10.990  -2.806   6.136
   72   3HD1  LEU   9          3HD1      LEU   9 -11.916  -2.559   4.636
   73   1HD2  LEU   9          1HD2      LEU   9 -13.448  -4.370   3.849
   74   2HD2  LEU   9          2HD2      LEU   9 -13.120  -6.053   4.329
   75   3HD2  LEU   9          3HD2      LEU   9 -14.053  -4.985   5.406
   76    H    MET  10           H        MET  10  -8.216  -7.299   3.580
   77    HA   MET  10           HA       MET  10 -10.050  -9.182   2.524
   78   1HB   MET  10          2HB       MET  10  -7.134  -8.453   2.179
   79   2HB   MET  10          3HB       MET  10  -7.628 -10.035   1.610
   80   1HG   MET  10          2HG       MET  10  -9.236  -7.580   0.831
   81   2HG   MET  10          3HG       MET  10  -7.760  -7.966  -0.031
   82   1HE   MET  10          1HE       MET  10 -10.884  -7.728  -0.400
   83   2HE   MET  10          2HE       MET  10 -10.593  -8.353  -2.041
   84   3HE   MET  10          3HE       MET  10 -11.716  -9.201  -0.953
  Start of MODEL    5
    1   1H    ALA   1          H         ALA   1  -2.876   4.825   4.795
    2    HA   ALA   1           HA       ALA   1  -2.213   4.841   2.121
    3   1HB   ALA   1          1HB       ALA   1  -1.281   2.282   2.344
    4   2HB   ALA   1          2HB       ALA   1  -0.236   3.713   2.173
    5   3HB   ALA   1          3HB       ALA   1  -0.550   3.029   3.786
    6    H    LYS   2           H        LYS   2  -4.141   4.297   1.242
    7    HA   LYS   2           HA       LYS   2  -5.986   2.766   2.848
    8   1HB   LYS   2          2HB       LYS   2  -7.634   3.691   1.571
    9   2HB   LYS   2          3HB       LYS   2  -6.399   4.917   1.371
   10   1HG   LYS   2          2HG       LYS   2  -5.646   3.694  -0.745
   11   2HG   LYS   2          3HG       LYS   2  -7.041   2.649  -0.570
   12   1HD   LYS   2          2HD       LYS   2  -8.420   4.891  -0.456
   13   2HD   LYS   2          3HD       LYS   2  -6.985   5.632  -1.136
   14   1HE   LYS   2          2HE       LYS   2  -7.987   5.062  -3.133
   15   2HE   LYS   2          3HE       LYS   2  -7.199   3.525  -2.839
   16   1HZ   LYS   2          1HZ       LYS   2  -9.540   3.319  -1.446
   17   2HZ   LYS   2          2HZ       LYS   2 -10.002   4.132  -2.781
   18    H    PHE   3           H        PHE   3  -3.789   2.341   0.115
   19    HA   PHE   3           HA       PHE   3  -5.019   0.055  -0.959
   20   1HB   PHE   3          2HB       PHE   3  -2.729  -0.179  -2.015
   21   2HB   PHE   3          3HB       PHE   3  -3.320   1.467  -2.123
   22    HD1  PHE   3           HD1      PHE   3  -1.076  -0.742  -0.164
   23    HD2  PHE   3           HD2      PHE   3  -2.091   3.246  -1.201
   24    HE1  PHE   3           HE1      PHE   3   1.013   0.081   0.957
   25    HE2  PHE   3           HE2      PHE   3  -0.002   4.068  -0.079
   26    HZ   PHE   3           HZ       PHE   3   1.525   2.477   0.986
   27    H    ASP   4           H        ASP   4  -2.954   0.618   1.852
   28    HA   ASP   4           HA       ASP   4  -2.185  -2.126   2.009
   29   1HB   ASP   4          2HB       ASP   4  -1.642   0.408   3.484
   30   2HB   ASP   4          3HB       ASP   4  -1.626  -1.028   4.487
   31    HD2  ASP   4           HD2      ASP   4   0.516   0.825   3.075
   32    H    LYS   5           H        LYS   5  -4.789  -0.009   3.045
   33    HA   LYS   5           HA       LYS   5  -5.561  -1.541   5.327
   34   1HB   LYS   5          2HB       LYS   5  -6.537   0.857   3.866
   35   2HB   LYS   5          3HB       LYS   5  -7.745  -0.058   4.744
   36   1HG   LYS   5          2HG       LYS   5  -5.810  -0.011   6.651
   37   2HG   LYS   5          3HG       LYS   5  -5.369   1.453   5.795
   38   1HD   LYS   5          2HD       LYS   5  -7.514   2.466   6.182
   39   2HD   LYS   5          3HD       LYS   5  -8.248   0.940   6.634
   40   1HE   LYS   5          2HE       LYS   5  -7.026   0.860   8.726
   41   2HE   LYS   5          3HE       LYS   5  -5.963   2.165   8.237
   42   1HZ   LYS   5          1HZ       LYS   5  -8.701   2.971   8.120
   43   2HZ   LYS   5          2HZ       LYS   5  -8.323   2.449   9.614
   44    H    PHE   6           H        PHE   6  -6.124  -1.626   1.838
   45    HA   PHE   6           HA       PHE   6  -8.507  -3.076   1.859
   46   1HB   PHE   6          2HB       PHE   6  -6.197  -2.423   0.049
   47   2HB   PHE   6          3HB       PHE   6  -7.058  -3.882  -0.399
   48    HD1  PHE   6           HD1      PHE   6  -9.558  -3.727  -0.815
   49    HD2  PHE   6           HD2      PHE   6  -7.078  -0.301  -0.463
   50    HE1  PHE   6           HE1      PHE   6 -11.306  -2.342  -1.968
   51    HE2  PHE   6           HE2      PHE   6  -8.825   1.083  -1.615
   52    HZ   PHE   6           HZ       PHE   6 -10.918   0.046  -2.354
   53    H    TYR   7           H        TYR   7  -5.084  -4.038   2.233
   54    HA   TYR   7           HA       TYR   7  -5.599  -6.817   1.854
   55   1HB   TYR   7          2HB       TYR   7  -3.435  -5.071   1.892
   56   2HB   TYR   7          3HB       TYR   7  -3.304  -5.743   3.506
   57    HD1  TYR   7           HD1      TYR   7  -3.848  -6.972  -0.006
   58    HD2  TYR   7           HD2      TYR   7  -1.926  -7.587   3.766
   59    HE1  TYR   7           HE1      TYR   7  -2.641  -9.004  -0.944
   60    HE2  TYR   7           HE2      TYR   7  -0.726  -9.617   2.816
   61    HH   TYR   7           HH       TYR   7  -0.897 -10.378  -0.593
   62    H    GLY   8           H        GLY   8  -5.805  -4.536   4.545
   63   1HA   GLY   8          1HA       GLY   8  -5.612  -6.508   6.618
   64   2HA   GLY   8          2HA       GLY   8  -6.118  -4.837   6.769
   65    H    LEU   9           H        LEU   9  -8.174  -5.167   4.537
   66    HA   LEU   9           HA       LEU   9 -10.252  -6.202   6.260
   67   1HB   LEU   9          2HB       LEU   9 -10.036  -4.368   3.981
   68   2HB   LEU   9          3HB       LEU   9 -11.441  -5.412   3.914
   69    HG   LEU   9           HG       LEU   9 -11.830  -4.638   6.382
   70   1HD1  LEU   9          1HD1      LEU   9  -9.511  -3.454   6.297
   71   2HD1  LEU   9          2HD1      LEU   9 -10.408  -2.154   5.475
   72   3HD1  LEU   9          3HD1      LEU   9 -10.881  -2.664   7.114
   73   1HD2  LEU   9          1HD2      LEU   9 -12.635  -2.312   5.063
   74   2HD2  LEU   9          2HD2      LEU   9 -12.604  -3.566   3.801
   75   3HD2  LEU   9          3HD2      LEU   9 -13.570  -3.811   5.275
   76    H    MET  10           H        MET  10  -8.226  -7.250   3.626
   77    HA   MET  10           HA       MET  10 -10.115  -9.254   2.803
   78   1HB   MET  10          2HB       MET  10  -7.539  -8.092   1.852
   79   2HB   MET  10          3HB       MET  10  -7.649  -9.820   1.589
   80   1HG   MET  10          2HG       MET  10 -10.116  -8.309   0.864
   81   2HG   MET  10          3HG       MET  10  -8.712  -7.910  -0.104
   82   1HE   MET  10          1HE       MET  10 -11.636 -10.845  -0.512
   83   2HE   MET  10          2HE       MET  10 -10.762 -11.731   0.761
   84   3HE   MET  10          3HE       MET  10 -11.258 -10.043   1.031
  Start of MODEL    6
    1   1H    ALA   1          H         ALA   1  -1.531   5.705   4.103
    2    HA   ALA   1           HA       ALA   1  -2.255   4.883   2.096
    3   1HB   ALA   1          1HB       ALA   1  -1.333   2.281   2.311
    4   2HB   ALA   1          2HB       ALA   1  -0.323   3.711   1.990
    5   3HB   ALA   1          3HB       ALA   1  -0.499   3.100   3.653
    6    H    LYS   2           H        LYS   2  -4.194   4.351   1.230
    7    HA   LYS   2           HA       LYS   2  -6.013   2.786   2.833
    8   1HB   LYS   2          2HB       LYS   2  -6.194   4.628   0.509
    9   2HB   LYS   2          3HB       LYS   2  -7.389   3.349   0.572
   10   1HG   LYS   2          2HG       LYS   2  -8.536   4.687   2.012
   11   2HG   LYS   2          3HG       LYS   2  -7.347   4.230   3.214
   12   1HD   LYS   2          2HD       LYS   2  -5.951   6.186   2.643
   13   2HD   LYS   2          3HD       LYS   2  -7.031   6.614   1.331
   14   1HE   LYS   2          2HE       LYS   2  -8.717   6.385   3.598
   15   2HE   LYS   2          3HE       LYS   2  -7.281   7.192   4.195
   16   1HZ   LYS   2          1HZ       LYS   2  -8.559   8.931   3.348
   17   2HZ   LYS   2          2HZ       LYS   2  -7.574   8.646   2.084
   18    H    PHE   3           H        PHE   3  -3.693   2.310   0.291
   19    HA   PHE   3           HA       PHE   3  -4.991   0.080  -0.904
   20   1HB   PHE   3          2HB       PHE   3  -2.766   1.810  -1.324
   21   2HB   PHE   3          3HB       PHE   3  -2.025   0.251  -1.025
   22    HD1  PHE   3           HD1      PHE   3  -3.964   2.242  -3.353
   23    HD2  PHE   3           HD2      PHE   3  -2.504  -1.657  -2.530
   24    HE1  PHE   3           HE1      PHE   3  -4.404   1.575  -5.732
   25    HE2  PHE   3           HE2      PHE   3  -2.945  -2.323  -4.910
   26    HZ   PHE   3           HZ       PHE   3  -3.890  -0.701  -6.482
   27    H    ASP   4           H        ASP   4  -2.925   0.611   1.913
   28    HA   ASP   4           HA       ASP   4  -2.159  -2.135   2.040
   29   1HB   ASP   4          2HB       ASP   4  -1.529   0.389   3.435
   30   2HB   ASP   4          3HB       ASP   4  -1.677  -0.954   4.550
   31    HD2  ASP   4           HD2      ASP   4  -0.137  -2.390   4.574
   32    H    LYS   5           H        LYS   5  -4.761  -0.027   3.099
   33    HA   LYS   5           HA       LYS   5  -5.533  -1.583   5.366
   34   1HB   LYS   5          2HB       LYS   5  -5.968   0.835   5.196
   35   2HB   LYS   5          3HB       LYS   5  -7.012   0.564   3.816
   36   1HG   LYS   5          2HG       LYS   5  -8.631   0.542   5.470
   37   2HG   LYS   5          3HG       LYS   5  -8.212  -1.159   5.502
   38   1HD   LYS   5          2HD       LYS   5  -6.336  -0.273   7.241
   39   2HD   LYS   5          3HD       LYS   5  -7.508   1.010   7.468
   40   1HE   LYS   5          2HE       LYS   5  -9.258  -0.959   7.700
   41   2HE   LYS   5          3HE       LYS   5  -7.848  -1.963   7.976
   42   1HZ   LYS   5          1HZ       LYS   5  -7.251  -0.124   9.696
   43   2HZ   LYS   5          2HZ       LYS   5  -8.831   0.268   9.628
   44    H    PHE   6           H        PHE   6  -6.109  -1.618   1.875
   45    HA   PHE   6           HA       PHE   6  -8.489  -3.068   1.881
   46   1HB   PHE   6          2HB       PHE   6  -6.177  -2.402   0.078
   47   2HB   PHE   6          3HB       PHE   6  -7.044  -3.853  -0.387
   48    HD1  PHE   6           HD1      PHE   6  -8.189  -0.566   0.977
   49    HD2  PHE   6           HD2      PHE   6  -8.404  -3.387  -2.185
   50    HE1  PHE   6           HE1      PHE   6  -9.932   0.839  -0.158
   51    HE2  PHE   6           HE2      PHE   6 -10.147  -1.982  -3.321
   52    HZ   PHE   6           HZ       PHE   6 -10.890   0.114  -2.293
   53    H    TYR   7           H        TYR   7  -5.067  -4.043   2.241
   54    HA   TYR   7           HA       TYR   7  -5.589  -6.815   1.832
   55   1HB   TYR   7          2HB       TYR   7  -3.396  -4.948   2.818
   56   2HB   TYR   7          3HB       TYR   7  -3.215  -6.652   3.190
   57    HD1  TYR   7           HD1      TYR   7  -2.031  -4.318   1.058
   58    HD2  TYR   7           HD2      TYR   7  -4.002  -8.111   0.874
   59    HE1  TYR   7           HE1      TYR   7  -1.049  -4.724  -1.251
   60    HE2  TYR   7           HE2      TYR   7  -3.014  -8.504  -1.435
   61    HH   TYR   7           HH       TYR   7  -0.470  -6.828  -2.614
   62    H    GLY   8           H        GLY   8  -5.787  -4.564   4.549
   63   1HA   GLY   8          1HA       GLY   8  -5.596  -6.558   6.599
   64   2HA   GLY   8          2HA       GLY   8  -6.099  -4.888   6.769
   65    H    LEU   9           H        LEU   9  -8.159  -5.191   4.536
   66    HA   LEU   9           HA       LEU   9 -10.235  -6.240   6.249
   67   1HB   LEU   9          2HB       LEU   9 -10.017  -4.379   3.996
   68   2HB   LEU   9          3HB       LEU   9 -11.422  -5.423   3.908
   69    HG   LEU   9           HG       LEU   9 -11.759  -3.186   5.027
   70   1HD1  LEU   9          1HD1      LEU   9 -12.420  -5.701   6.581
   71   2HD1  LEU   9          2HD1      LEU   9 -13.167  -4.109   6.850
   72   3HD1  LEU   9          3HD1      LEU   9 -13.387  -4.942   5.293
   73   1HD2  LEU   9          1HD2      LEU   9 -10.236  -4.453   7.319
   74   2HD2  LEU   9          2HD2      LEU   9  -9.607  -3.168   6.261
   75   3HD2  LEU   9          3HD2      LEU   9 -11.020  -2.855   7.297
   76    H    MET  10           H        MET  10  -8.214  -7.264   3.602
   77    HA   MET  10           HA       MET  10 -10.027  -9.093   2.486
   78   1HB   MET  10          2HB       MET  10  -7.519  -8.066   1.850
   79   2HB   MET  10          3HB       MET  10  -7.093  -9.690   2.352
   80   1HG   MET  10          2HG       MET  10  -7.664 -10.355   0.250
   81   2HG   MET  10          3HG       MET  10  -9.333 -10.127   0.733
   82   1HE   MET  10          1HE       MET  10  -6.519  -7.018  -0.679
   83   2HE   MET  10          2HE       MET  10  -6.203  -8.752  -0.432
   84   3HE   MET  10          3HE       MET  10  -6.679  -8.154  -2.039
  Start of MODEL    7
    1   1H    ALA   1          H         ALA   1  -2.788   6.020   1.370
    2    HA   ALA   1           HA       ALA   1  -1.288   4.028   2.838
    3   1HB   ALA   1          1HB       ALA   1  -3.039   6.385   3.636
    4   2HB   ALA   1          2HB       ALA   1  -2.230   5.312   4.803
    5   3HB   ALA   1          3HB       ALA   1  -1.261   6.293   3.676
    6    H    LYS   2           H        LYS   2  -4.399   4.404   1.383
    7    HA   LYS   2           HA       LYS   2  -5.734   2.698   3.295
    8   1HB   LYS   2          2HB       LYS   2  -7.679   3.348   2.299
    9   2HB   LYS   2          3HB       LYS   2  -6.676   4.720   1.874
   10   1HG   LYS   2          2HG       LYS   2  -6.102   3.049  -0.227
   11   2HG   LYS   2          3HG       LYS   2  -7.738   2.532   0.133
   12   1HD   LYS   2          2HD       LYS   2  -8.351   5.068   0.137
   13   2HD   LYS   2          3HD       LYS   2  -6.790   5.325  -0.614
   14   1HE   LYS   2          2HE       LYS   2  -8.286   3.137  -1.910
   15   2HE   LYS   2          3HE       LYS   2  -9.177   4.645  -1.938
   16   1HZ   LYS   2          1HZ       LYS   2  -6.532   4.089  -3.109
   17   2HZ   LYS   2          2HZ       LYS   2  -7.820   4.798  -3.809
   18    H    PHE   3           H        PHE   3  -3.936   2.480   0.271
   19    HA   PHE   3           HA       PHE   3  -4.957   0.150  -0.769
   20   1HB   PHE   3          2HB       PHE   3  -2.656   0.004  -1.786
   21   2HB   PHE   3          3HB       PHE   3  -3.241   1.656  -1.813
   22    HD1  PHE   3           HD1      PHE   3  -0.806  -0.638  -0.361
   23    HD2  PHE   3           HD2      PHE   3  -2.269   3.345  -0.337
   24    HE1  PHE   3           HE1      PHE   3   1.260   0.113   0.850
   25    HE2  PHE   3           HE2      PHE   3  -0.204   4.097   0.875
   26    HZ   PHE   3           HZ       PHE   3   1.536   2.471   1.454
   27    H    ASP   4           H        ASP   4  -2.967   0.673   2.109
   28    HA   ASP   4           HA       ASP   4  -2.167  -2.065   2.214
   29   1HB   ASP   4          2HB       ASP   4  -0.872  -1.434   4.075
   30   2HB   ASP   4          3HB       ASP   4  -0.915   0.043   3.131
   31    HD2  ASP   4           HD2      ASP   4  -0.527   0.779   5.773
   32    H    LYS   5           H        LYS   5  -4.823  -0.009   3.238
   33    HA   LYS   5           HA       LYS   5  -5.621  -1.601   5.469
   34   1HB   LYS   5          2HB       LYS   5  -6.473   0.870   4.130
   35   2HB   LYS   5          3HB       LYS   5  -7.815  -0.097   4.708
   36   1HG   LYS   5          2HG       LYS   5  -7.318   0.306   6.904
   37   2HG   LYS   5          3HG       LYS   5  -5.603   0.036   6.663
   38   1HD   LYS   5          2HD       LYS   5  -5.527   2.306   7.105
   39   2HD   LYS   5          3HD       LYS   5  -5.768   2.391   5.372
   40   1HE   LYS   5          2HE       LYS   5  -8.147   2.311   7.263
   41   2HE   LYS   5          3HE       LYS   5  -7.326   3.822   6.923
   42   1HZ   LYS   5          1HZ       LYS   5  -9.250   2.652   5.349
   43   2HZ   LYS   5          2HZ       LYS   5  -8.305   3.906   4.913
   44    H    PHE   6           H        PHE   6  -6.133  -1.596   1.966
   45    HA   PHE   6           HA       PHE   6  -8.484  -3.088   1.906
   46   1HB   PHE   6          2HB       PHE   6  -6.106  -2.451   0.147
   47   2HB   PHE   6          3HB       PHE   6  -7.086  -3.812  -0.365
   48    HD1  PHE   6           HD1      PHE   6  -7.806  -0.403   1.005
   49    HD2  PHE   6           HD2      PHE   6  -8.563  -3.266  -2.034
   50    HE1  PHE   6           HE1      PHE   6  -9.431   1.175  -0.076
   51    HE2  PHE   6           HE2      PHE   6 -10.188  -1.688  -3.115
   52    HZ   PHE   6           HZ       PHE   6 -10.603   0.513  -2.124
   53    H    TYR   7           H        TYR   7  -5.054  -4.008   2.321
   54    HA   TYR   7           HA       TYR   7  -5.518  -6.784   1.863
   55   1HB   TYR   7          2HB       TYR   7  -3.334  -5.485   1.600
   56   2HB   TYR   7          3HB       TYR   7  -3.338  -5.164   3.324
   57    HD1  TYR   7           HD1      TYR   7  -2.390  -6.705   4.849
   58    HD2  TYR   7           HD2      TYR   7  -3.149  -7.918   0.818
   59    HE1  TYR   7           HE1      TYR   7  -1.094  -8.855   5.246
   60    HE2  TYR   7           HE2      TYR   7  -1.850 -10.065   1.228
   61    HH   TYR   7           HH       TYR   7  -0.800 -10.952   4.428
   62    H    GLY   8           H        GLY   8  -5.807  -4.575   4.607
   63   1HA   GLY   8          1HA       GLY   8  -5.621  -6.594   6.632
   64   2HA   GLY   8          2HA       GLY   8  -6.157  -4.935   6.815
   65    H    LEU   9           H        LEU   9  -8.167  -5.243   4.539
   66    HA   LEU   9           HA       LEU   9 -10.258  -6.352   6.195
   67   1HB   LEU   9          2HB       LEU   9 -10.068  -4.206   4.472
   68   2HB   LEU   9          3HB       LEU   9 -10.972  -5.377   3.533
   69    HG   LEU   9           HG       LEU   9 -11.926  -5.073   6.306
   70   1HD1  LEU   9          1HD1      LEU   9 -11.984  -2.859   6.422
   71   2HD1  LEU   9          2HD1      LEU   9 -11.349  -2.698   4.767
   72   3HD1  LEU   9          3HD1      LEU   9 -13.101  -2.863   5.036
   73   1HD2  LEU   9          1HD2      LEU   9 -13.889  -5.692   5.411
   74   2HD2  LEU   9          2HD2      LEU   9 -13.730  -4.584   4.027
   75   3HD2  LEU   9          3HD2      LEU   9 -12.900  -6.160   4.006
   76    H    MET  10           H        MET  10  -8.168  -7.303   3.575
   77    HA   MET  10           HA       MET  10  -9.928  -9.148   2.399
   78   1HB   MET  10          2HB       MET  10  -7.792  -8.134   1.393
   79   2HB   MET  10          3HB       MET  10  -6.859  -9.157   2.468
   80   1HG   MET  10          2HG       MET  10  -6.942 -10.723   0.810
   81   2HG   MET  10          3HG       MET  10  -8.603 -10.991   1.297
   82   1HE   MET  10          1HE       MET  10  -7.116  -8.001  -1.753
   83   2HE   MET  10          2HE       MET  10  -6.218  -8.873  -0.489
   84   3HE   MET  10          3HE       MET  10  -6.544  -9.659  -2.052
  Start of MODEL    8
    1   1H    ALA   1          H         ALA   1  -0.982   4.656   4.410
    2    HA   ALA   1           HA       ALA   1  -2.395   5.085   2.166
    3   1HB   ALA   1          1HB       ALA   1  -0.276   4.101   1.939
    4   2HB   ALA   1          2HB       ALA   1  -0.654   2.789   3.082
    5   3HB   ALA   1          3HB       ALA   1  -1.376   2.788   1.454
    6    H    LYS   2           H        LYS   2  -4.275   4.392   1.213
    7    HA   LYS   2           HA       LYS   2  -6.012   2.783   2.845
    8   1HB   LYS   2          2HB       LYS   2  -6.283   4.496   0.409
    9   2HB   LYS   2          3HB       LYS   2  -7.483   3.246   0.666
   10   1HG   LYS   2          2HG       LYS   2  -8.464   4.408   2.357
   11   2HG   LYS   2          3HG       LYS   2  -6.933   4.656   3.171
   12   1HD   LYS   2          2HD       LYS   2  -7.217   6.283   0.709
   13   2HD   LYS   2          3HD       LYS   2  -8.440   6.638   1.913
   14   1HE   LYS   2          2HE       LYS   2  -5.722   6.360   3.065
   15   2HE   LYS   2          3HE       LYS   2  -5.842   7.657   1.895
   16   1HZ   LYS   2          1HZ       LYS   2  -6.448   8.319   4.209
   17   2HZ   LYS   2          2HZ       LYS   2  -7.645   8.617   3.146
   18    H    PHE   3           H        PHE   3  -3.782   2.359   0.178
   19    HA   PHE   3           HA       PHE   3  -4.998   0.071  -0.934
   20   1HB   PHE   3          2HB       PHE   3  -2.232   1.373  -0.856
   21   2HB   PHE   3          3HB       PHE   3  -2.427  -0.172  -1.660
   22    HD1  PHE   3           HD1      PHE   3  -4.679  -0.131  -3.257
   23    HD2  PHE   3           HD2      PHE   3  -2.216   3.180  -2.269
   24    HE1  PHE   3           HE1      PHE   3  -5.427   1.047  -5.344
   25    HE2  PHE   3           HE2      PHE   3  -2.964   4.359  -4.356
   26    HZ   PHE   3           HZ       PHE   3  -4.561   3.279  -5.867
   27    H    ASP   4           H        ASP   4  -2.958   0.657   1.893
   28    HA   ASP   4           HA       ASP   4  -2.172  -2.082   2.060
   29   1HB   ASP   4          2HB       ASP   4  -1.098   0.251   3.002
   30   2HB   ASP   4          3HB       ASP   4  -1.971  -0.258   4.435
   31    HD2  ASP   4           HD2      ASP   4  -1.332  -3.021   4.535
   32    H    LYS   5           H        LYS   5  -4.799   0.019   3.073
   33    HA   LYS   5           HA       LYS   5  -5.574  -1.510   5.355
   34   1HB   LYS   5          2HB       LYS   5  -6.292   0.984   4.097
   35   2HB   LYS   5          3HB       LYS   5  -7.742   0.049   4.405
   36   1HG   LYS   5          2HG       LYS   5  -7.356  -0.043   6.739
   37   2HG   LYS   5          3HG       LYS   5  -5.636   0.252   6.572
   38   1HD   LYS   5          2HD       LYS   5  -7.255   2.468   5.485
   39   2HD   LYS   5          3HD       LYS   5  -7.596   2.171   7.178
   40   1HE   LYS   5          2HE       LYS   5  -5.532   2.910   7.857
   41   2HE   LYS   5          3HE       LYS   5  -4.698   2.099   6.546
   42   1HZ   LYS   5          1HZ       LYS   5  -4.783   3.964   5.283
   43   2HZ   LYS   5          2HZ       LYS   5  -6.320   4.330   5.682
   44    H    PHE   6           H        PHE   6  -6.108  -1.615   1.864
   45    HA   PHE   6           HA       PHE   6  -8.481  -3.085   1.875
   46   1HB   PHE   6          2HB       PHE   6  -6.670  -1.946   0.061
   47   2HB   PHE   6          3HB       PHE   6  -6.389  -3.655  -0.202
   48    HD1  PHE   6           HD1      PHE   6  -9.175  -1.186  -0.000
   49    HD2  PHE   6           HD2      PHE   6  -7.749  -4.811  -1.681
   50    HE1  PHE   6           HE1      PHE   6 -11.191  -1.286  -1.494
   51    HE2  PHE   6           HE2      PHE   6  -9.765  -4.912  -3.175
   52    HZ   PHE   6           HZ       PHE   6 -11.462  -3.147  -3.063
   53    H    TYR   7           H        TYR   7  -5.052  -4.013   2.272
   54    HA   TYR   7           HA       TYR   7  -5.538  -6.798   1.894
   55   1HB   TYR   7          2HB       TYR   7  -3.354  -5.480   1.587
   56   2HB   TYR   7          3HB       TYR   7  -3.328  -5.182   3.313
   57    HD1  TYR   7           HD1      TYR   7  -3.848  -8.227   1.164
   58    HD2  TYR   7           HD2      TYR   7  -1.716  -6.427   4.408
   59    HE1  TYR   7           HE1      TYR   7  -2.556 -10.387   1.523
   60    HE2  TYR   7           HE2      TYR   7  -0.432  -8.594   4.756
   61    HH   TYR   7           HH       TYR   7  -1.290 -11.500   2.997
   62    H    GLY   8           H        GLY   8  -5.780  -4.514   4.581
   63   1HA   GLY   8          1HA       GLY   8  -5.583  -6.481   6.658
   64   2HA   GLY   8          2HA       GLY   8  -6.105  -4.814   6.803
   65    H    LEU   9           H        LEU   9  -8.144  -5.167   4.560
   66    HA   LEU   9           HA       LEU   9 -10.223  -6.216   6.270
   67   1HB   LEU   9          2HB       LEU   9 -10.036  -4.459   3.898
   68   2HB   LEU   9          3HB       LEU   9 -11.482  -5.444   4.009
   69    HG   LEU   9           HG       LEU   9 -11.095  -4.292   6.575
   70   1HD1  LEU   9          1HD1      LEU   9 -10.587  -2.365   4.311
   71   2HD1  LEU   9          2HD1      LEU   9 -11.283  -1.840   5.863
   72   3HD1  LEU   9          3HD1      LEU   9  -9.670  -2.592   5.818
   73   1HD2  LEU   9          1HD2      LEU   9 -13.238  -4.917   5.576
   74   2HD2  LEU   9          2HD2      LEU   9 -13.242  -3.220   6.112
   75   3HD2  LEU   9          3HD2      LEU   9 -13.073  -3.607   4.382
   76    H    MET  10           H        MET  10  -8.172  -7.253   3.653
   77    HA   MET  10           HA       MET  10 -10.015  -9.203   2.699
   78   1HB   MET  10          2HB       MET  10  -7.423  -8.070   1.962
   79   2HB   MET  10          3HB       MET  10  -7.301  -9.818   1.940
   80   1HG   MET  10          2HG       MET  10  -9.152 -10.017   0.371
   81   2HG   MET  10          3HG       MET  10  -9.581  -8.329   0.561
   82   1HE   MET  10          1HE       MET  10  -9.156 -10.140  -1.731
   83   2HE   MET  10          2HE       MET  10  -8.735  -8.836  -2.867
   84   3HE   MET  10          3HE       MET  10  -7.584 -10.161  -2.567
  Start of MODEL    9
    1   1H    ALA   1          H         ALA   1  -1.640   5.859   1.161
    2    HA   ALA   1           HA       ALA   1  -1.241   3.940   2.571
    3   1HB   ALA   1          1HB       ALA   1  -1.067   5.366   4.297
    4   2HB   ALA   1          2HB       ALA   1  -2.074   6.528   3.397
    5   3HB   ALA   1          3HB       ALA   1  -2.834   5.369   4.515
    6    H    LYS   2           H        LYS   2  -4.467   4.503   1.461
    7    HA   LYS   2           HA       LYS   2  -5.737   2.710   3.289
    8   1HB   LYS   2          2HB       LYS   2  -6.511   4.586   1.236
    9   2HB   LYS   2          3HB       LYS   2  -7.320   3.055   0.969
   10   1HG   LYS   2          2HG       LYS   2  -8.354   3.075   3.114
   11   2HG   LYS   2          3HG       LYS   2  -7.214   4.238   3.761
   12   1HD   LYS   2          2HD       LYS   2  -8.151   6.002   2.256
   13   2HD   LYS   2          3HD       LYS   2  -9.287   4.841   1.597
   14   1HE   LYS   2          2HE       LYS   2  -9.963   4.485   4.152
   15   2HE   LYS   2          3HE       LYS   2  -9.217   6.056   4.371
   16   1HZ   LYS   2          1HZ       LYS   2 -11.517   5.413   2.619
   17   2HZ   LYS   2          2HZ       LYS   2 -11.483   6.463   3.862
   18    H    PHE   3           H        PHE   3  -3.874   2.468   0.328
   19    HA   PHE   3           HA       PHE   3  -4.918   0.151  -0.746
   20   1HB   PHE   3          2HB       PHE   3  -2.816   1.931  -1.177
   21   2HB   PHE   3          3HB       PHE   3  -1.930   0.517  -0.640
   22    HD1  PHE   3           HD1      PHE   3  -3.353  -1.711  -1.813
   23    HD2  PHE   3           HD2      PHE   3  -2.554   2.116  -3.462
   24    HE1  PHE   3           HE1      PHE   3  -3.494  -2.677  -4.125
   25    HE2  PHE   3           HE2      PHE   3  -2.695   1.150  -5.774
   26    HZ   PHE   3           HZ       PHE   3  -3.163  -1.236  -6.078
   27    H    ASP   4           H        ASP   4  -2.941   0.662   2.147
   28    HA   ASP   4           HA       ASP   4  -2.177  -2.085   2.264
   29   1HB   ASP   4          2HB       ASP   4  -1.795   0.372   3.981
   30   2HB   ASP   4          3HB       ASP   4  -1.541  -1.197   4.719
   31    HD2  ASP   4           HD2      ASP   4   1.284  -1.761   3.913
   32    H    LYS   5           H        LYS   5  -4.814   0.003   3.265
   33    HA   LYS   5           HA       LYS   5  -5.642  -1.566   5.501
   34   1HB   LYS   5          2HB       LYS   5  -6.774   0.758   3.962
   35   2HB   LYS   5          3HB       LYS   5  -7.779  -0.114   5.102
   36   1HG   LYS   5          2HG       LYS   5  -5.106   0.493   6.204
   37   2HG   LYS   5          3HG       LYS   5  -5.973   1.940   5.728
   38   1HD   LYS   5          2HD       LYS   5  -7.248  -0.237   7.441
   39   2HD   LYS   5          3HD       LYS   5  -6.368   1.109   8.137
   40   1HE   LYS   5          2HE       LYS   5  -8.053   2.609   7.699
   41   2HE   LYS   5          3HE       LYS   5  -8.377   1.938   6.114
   42   1HZ   LYS   5          1HZ       LYS   5 -10.216   1.132   7.142
   43   2HZ   LYS   5          2HZ       LYS   5  -9.247  -0.036   7.728
   44    H    PHE   6           H        PHE   6  -6.111  -1.596   1.996
   45    HA   PHE   6           HA       PHE   6  -8.485  -3.057   1.929
   46   1HB   PHE   6          2HB       PHE   6  -6.126  -2.374   0.193
   47   2HB   PHE   6          3HB       PHE   6  -6.981  -3.821  -0.303
   48    HD1  PHE   6           HD1      PHE   6  -7.365  -0.198   0.304
   49    HD2  PHE   6           HD2      PHE   6  -9.089  -3.689  -1.386
   50    HE1  PHE   6           HE1      PHE   6  -9.077   1.215  -0.868
   51    HE2  PHE   6           HE2      PHE   6 -10.800  -2.276  -2.557
   52    HZ   PHE   6           HZ       PHE   6 -10.775   0.159  -2.285
   53    H    TYR   7           H        TYR   7  -5.070  -4.011   2.382
   54    HA   TYR   7           HA       TYR   7  -5.562  -6.785   1.943
   55   1HB   TYR   7          2HB       TYR   7  -3.403  -5.072   2.015
   56   2HB   TYR   7          3HB       TYR   7  -3.324  -5.662   3.663
   57    HD1  TYR   7           HD1      TYR   7  -2.277  -7.713   4.147
   58    HD2  TYR   7           HD2      TYR   7  -3.409  -6.835   0.116
   59    HE1  TYR   7           HE1      TYR   7  -1.034  -9.779   3.340
   60    HE2  TYR   7           HE2      TYR   7  -2.162  -8.904  -0.678
   61    HH   TYR   7           HH       TYR   7  -0.088 -10.253   0.337
   62    H    GLY   8           H        GLY   8  -5.850  -4.550   4.666
   63   1HA   GLY   8          1HA       GLY   8  -5.705  -6.554   6.710
   64   2HA   GLY   8          2HA       GLY   8  -6.223  -4.888   6.874
   65    H    LEU   9           H        LEU   9  -8.216  -5.191   4.582
   66    HA   LEU   9           HA       LEU   9 -10.335  -6.262   6.230
   67   1HB   LEU   9          2HB       LEU   9 -10.146  -4.567   3.776
   68   2HB   LEU   9          3HB       LEU   9 -11.638  -5.430   4.093
   69    HG   LEU   9           HG       LEU   9 -11.296  -4.294   6.512
   70   1HD1  LEU   9          1HD1      LEU   9 -10.637  -1.835   5.859
   71   2HD1  LEU   9          2HD1      LEU   9  -9.394  -3.028   6.305
   72   3HD1  LEU   9          3HD1      LEU   9  -9.692  -2.651   4.591
   73   1HD2  LEU   9          1HD2      LEU   9 -12.683  -2.319   5.437
   74   2HD2  LEU   9          2HD2      LEU   9 -12.687  -3.400   4.023
   75   3HD2  LEU   9          3HD2      LEU   9 -13.355  -3.961   5.574
   76    H    MET  10           H        MET  10  -8.233  -7.259   3.636
   77    HA   MET  10           HA       MET  10 -10.016  -9.109   2.486
   78   1HB   MET  10          2HB       MET  10  -7.887  -8.086   1.452
   79   2HB   MET  10          3HB       MET  10  -6.948  -9.131   2.500
   80   1HG   MET  10          2HG       MET  10  -7.853 -11.139   1.455
   81   2HG   MET  10          3HG       MET  10  -9.056 -10.214   0.578
   82   1HE   MET  10          1HE       MET  10  -8.971  -9.245  -1.277
   83   2HE   MET  10          2HE       MET  10  -7.603  -8.761  -2.309
   84   3HE   MET  10          3HE       MET  10  -8.171 -10.448  -2.318
  Start of MODEL   10
    1   1H    ALA   1          H         ALA   1  -1.240   2.880   1.607
    2    HA   ALA   1           HA       ALA   1  -1.722   4.261   3.655
    3   1HB   ALA   1          1HB       ALA   1  -1.774   6.419   2.605
    4   2HB   ALA   1          2HB       ALA   1  -3.006   5.891   1.435
    5   3HB   ALA   1          3HB       ALA   1  -3.432   6.075   3.153
    6    H    LYS   2           H        LYS   2  -4.581   4.708   1.623
    7    HA   LYS   2           HA       LYS   2  -6.036   2.825   3.120
    8   1HB   LYS   2          2HB       LYS   2  -6.525   4.652   0.832
    9   2HB   LYS   2          3HB       LYS   2  -7.589   3.265   0.939
   10   1HG   LYS   2          2HG       LYS   2  -8.662   4.086   2.778
   11   2HG   LYS   2          3HG       LYS   2  -7.161   4.511   3.573
   12   1HD   LYS   2          2HD       LYS   2  -6.996   6.567   2.140
   13   2HD   LYS   2          3HD       LYS   2  -8.519   6.148   1.379
   14   1HE   LYS   2          2HE       LYS   2  -8.814   6.084   4.284
   15   2HE   LYS   2          3HE       LYS   2  -8.137   7.623   3.789
   16   1HZ   LYS   2          1HZ       LYS   2 -10.537   6.466   2.485
   17   2HZ   LYS   2          2HZ       LYS   2 -10.635   7.492   3.745
   18    H    PHE   3           H        PHE   3  -3.712   2.440   0.653
   19    HA   PHE   3           HA       PHE   3  -4.903   0.212  -0.652
   20   1HB   PHE   3          2HB       PHE   3  -2.262   1.686  -0.487
   21   2HB   PHE   3          3HB       PHE   3  -2.188   0.047  -1.105
   22    HD1  PHE   3           HD1      PHE   3  -4.200  -0.415  -2.904
   23    HD2  PHE   3           HD2      PHE   3  -2.382   3.331  -2.083
   24    HE1  PHE   3           HE1      PHE   3  -4.876   0.411  -5.177
   25    HE2  PHE   3           HE2      PHE   3  -3.058   4.157  -4.354
   26    HZ   PHE   3           HZ       PHE   3  -4.296   2.687  -5.874
   27    H    ASP   4           H        ASP   4  -2.989   0.722   2.277
   28    HA   ASP   4           HA       ASP   4  -2.193  -2.016   2.395
   29   1HB   ASP   4          2HB       ASP   4  -0.940   0.057   3.347
   30   2HB   ASP   4          3HB       ASP   4  -2.113   0.032   4.648
   31    HD2  ASP   4           HD2      ASP   4  -1.425  -0.950   6.304
   32    H    LYS   5           H        LYS   5  -4.874   0.038   3.357
   33    HA   LYS   5           HA       LYS   5  -5.734  -1.564   5.557
   34   1HB   LYS   5          2HB       LYS   5  -6.177   0.990   4.857
   35   2HB   LYS   5          3HB       LYS   5  -7.606   0.275   4.140
   36   1HG   LYS   5          2HG       LYS   5  -8.067  -0.871   6.369
   37   2HG   LYS   5          3HG       LYS   5  -6.726   0.026   7.054
   38   1HD   LYS   5          2HD       LYS   5  -7.821   2.148   6.681
   39   2HD   LYS   5          3HD       LYS   5  -9.023   1.429   5.627
   40   1HE   LYS   5          2HE       LYS   5 -10.066   1.816   7.793
   41   2HE   LYS   5          3HE       LYS   5  -9.886   0.084   7.587
   42   1HZ   LYS   5          1HZ       LYS   5  -8.933   1.525   9.702
   43   2HZ   LYS   5          2HZ       LYS   5  -8.483   0.004   9.336
   44    H    PHE   6           H        PHE   6  -6.136  -1.552   2.043
   45    HA   PHE   6           HA       PHE   6  -8.492  -3.038   1.910
   46   1HB   PHE   6          2HB       PHE   6  -6.118  -2.288   0.232
   47   2HB   PHE   6          3HB       PHE   6  -6.911  -3.759  -0.294
   48    HD1  PHE   6           HD1      PHE   6  -8.170  -3.296  -2.167
   49    HD2  PHE   6           HD2      PHE   6  -8.255  -0.547   1.064
   50    HE1  PHE   6           HE1      PHE   6  -9.898  -1.932  -3.373
   51    HE2  PHE   6           HE2      PHE   6  -9.983   0.816  -0.141
   52    HZ   PHE   6           HZ       PHE   6 -10.784   0.108  -2.346
   53    H    TYR   7           H        TYR   7  -5.077  -3.963   2.420
   54    HA   TYR   7           HA       TYR   7  -5.532  -6.737   1.939
   55   1HB   TYR   7          2HB       TYR   7  -3.413  -4.931   3.225
   56   2HB   TYR   7          3HB       TYR   7  -3.214  -6.671   3.271
   57    HD1  TYR   7           HD1      TYR   7  -3.941  -7.651   0.682
   58    HD2  TYR   7           HD2      TYR   7  -1.981  -3.979   1.674
   59    HE1  TYR   7           HE1      TYR   7  -2.880  -7.585  -1.627
   60    HE2  TYR   7           HE2      TYR   7  -0.926  -3.926  -0.639
   61    HH   TYR   7           HH       TYR   7  -1.179  -6.653  -2.797
   62    H    GLY   8           H        GLY   8  -5.896  -4.537   4.681
   63   1HA   GLY   8          1HA       GLY   8  -5.773  -6.565   6.703
   64   2HA   GLY   8          2HA       GLY   8  -6.311  -4.907   6.877
   65    H    LEU   9           H        LEU   9  -8.254  -5.201   4.542
   66    HA   LEU   9           HA       LEU   9 -10.394  -6.312   6.134
   67   1HB   LEU   9          2HB       LEU   9 -10.142  -4.526   3.771
   68   2HB   LEU   9          3HB       LEU   9 -11.609  -5.475   3.905
   69    HG   LEU   9           HG       LEU   9 -11.671  -4.507   6.356
   70   1HD1  LEU   9          1HD1      LEU   9  -9.953  -2.471   4.912
   71   2HD1  LEU   9          2HD1      LEU   9 -10.783  -2.201   6.463
   72   3HD1  LEU   9          3HD1      LEU   9  -9.505  -3.434   6.340
   73   1HD2  LEU   9          1HD2      LEU   9 -12.365  -2.708   4.024
   74   2HD2  LEU   9          2HD2      LEU   9 -13.306  -4.145   4.488
   75   3HD2  LEU   9          3HD2      LEU   9 -13.146  -2.784   5.622
   76    H    MET  10           H        MET  10  -8.232  -7.257   3.571
   77    HA   MET  10           HA       MET  10  -9.970  -9.108   2.359
   78   1HB   MET  10          2HB       MET  10  -7.821  -8.054   1.394
   79   2HB   MET  10          3HB       MET  10  -6.904  -9.115   2.445
   80   1HG   MET  10          2HG       MET  10  -8.363 -11.038   1.333
   81   2HG   MET  10          3HG       MET  10  -8.646  -9.851   0.075
   82   1HE   MET  10          1HE       MET  10  -6.332 -11.489   2.336
   83   2HE   MET  10          2HE       MET  10  -5.533 -12.519   1.124
   84   3HE   MET  10          3HE       MET  10  -4.691 -11.091   1.774
  Start of MODEL   11
    1   1H    ALA   1          H         ALA   1  -2.849   5.737   1.916
    2    HA   ALA   1           HA       ALA   1  -1.327   3.459   2.980
    3   1HB   ALA   1          1HB       ALA   1  -2.382   5.978   4.130
    4   2HB   ALA   1          2HB       ALA   1  -2.695   4.524   5.108
    5   3HB   ALA   1          3HB       ALA   1  -1.027   4.955   4.664
    6    H    LYS   2           H        LYS   2  -4.328   4.544   1.651
    7    HA   LYS   2           HA       LYS   2  -6.022   2.782   3.099
    8   1HB   LYS   2          2HB       LYS   2  -6.264   4.608   0.748
    9   2HB   LYS   2          3HB       LYS   2  -7.457   3.334   0.906
   10   1HG   LYS   2          2HG       LYS   2  -8.397   4.254   2.803
   11   2HG   LYS   2          3HG       LYS   2  -6.858   4.798   3.436
   12   1HD   LYS   2          2HD       LYS   2  -7.377   6.289   1.024
   13   2HD   LYS   2          3HD       LYS   2  -8.840   6.320   1.988
   14   1HE   LYS   2          2HE       LYS   2  -7.772   8.095   3.007
   15   2HE   LYS   2          3HE       LYS   2  -7.058   6.818   3.970
   16   1HZ   LYS   2          1HZ       LYS   2  -5.569   8.562   2.680
   17   2HZ   LYS   2          2HZ       LYS   2  -5.059   7.029   2.882
   18    H    PHE   3           H        PHE   3  -3.736   2.446   0.481
   19    HA   PHE   3           HA       PHE   3  -4.950   0.207  -0.748
   20   1HB   PHE   3          2HB       PHE   3  -2.363   1.742  -0.714
   21   2HB   PHE   3          3HB       PHE   3  -2.196   0.070  -1.213
   22    HD1  PHE   3           HD1      PHE   3  -3.180   3.365  -2.207
   23    HD2  PHE   3           HD2      PHE   3  -3.599  -0.745  -3.169
   24    HE1  PHE   3           HE1      PHE   3  -3.917   3.984  -4.525
   25    HE2  PHE   3           HE2      PHE   3  -4.337  -0.128  -5.487
   26    HZ   PHE   3           HZ       PHE   3  -4.487   2.229  -6.137
   27    H    ASP   4           H        ASP   4  -2.946   0.692   2.122
   28    HA   ASP   4           HA       ASP   4  -2.146  -2.047   2.193
   29   1HB   ASP   4          2HB       ASP   4  -1.193   0.322   3.303
   30   2HB   ASP   4          3HB       ASP   4  -1.955  -0.439   4.686
   31    HD2  ASP   4           HD2      ASP   4  -0.635  -2.565   5.433
   32    H    LYS   5           H        LYS   5  -4.795   0.001   3.256
   33    HA   LYS   5           HA       LYS   5  -5.589  -1.621   5.466
   34   1HB   LYS   5          2HB       LYS   5  -6.018   0.878   5.117
   35   2HB   LYS   5          3HB       LYS   5  -7.273   0.409   3.987
   36   1HG   LYS   5          2HG       LYS   5  -8.521   0.522   5.952
   37   2HG   LYS   5          3HG       LYS   5  -8.075  -1.172   5.974
   38   1HD   LYS   5          2HD       LYS   5  -7.600  -0.330   8.177
   39   2HD   LYS   5          3HD       LYS   5  -6.047  -0.538   7.393
   40   1HE   LYS   5          2HE       LYS   5  -6.657   2.056   6.654
   41   2HE   LYS   5          3HE       LYS   5  -7.427   1.972   8.227
   42   1HZ   LYS   5          1HZ       LYS   5  -4.584   1.775   7.584
   43   2HZ   LYS   5          2HZ       LYS   5  -5.299   2.486   8.863
   44    H    PHE   6           H        PHE   6  -6.091  -1.582   1.966
   45    HA   PHE   6           HA       PHE   6  -8.457  -3.048   1.879
   46   1HB   PHE   6          2HB       PHE   6  -6.110  -2.318   0.156
   47   2HB   PHE   6          3HB       PHE   6  -6.922  -3.785  -0.355
   48    HD1  PHE   6           HD1      PHE   6  -9.720  -3.280   0.075
   49    HD2  PHE   6           HD2      PHE   6  -6.713  -0.598  -1.252
   50    HE1  PHE   6           HE1      PHE   6 -11.463  -1.907  -1.098
   51    HE2  PHE   6           HE2      PHE   6  -8.454   0.776  -2.425
   52    HZ   PHE   6           HZ       PHE   6 -10.810   0.106  -2.335
   53    H    TYR   7           H        TYR   7  -5.038  -4.014   2.304
   54    HA   TYR   7           HA       TYR   7  -5.545  -6.784   1.844
   55   1HB   TYR   7          2HB       TYR   7  -3.382  -5.049   1.938
   56   2HB   TYR   7          3HB       TYR   7  -3.273  -5.732   3.548
   57    HD1  TYR   7           HD1      TYR   7  -2.610  -6.251   0.043
   58    HD2  TYR   7           HD2      TYR   7  -3.053  -8.262   3.793
   59    HE1  TYR   7           HE1      TYR   7  -1.392  -8.279  -0.892
   60    HE2  TYR   7           HE2      TYR   7  -1.834 -10.282   2.847
   61    HH   TYR   7           HH       TYR   7  -0.562 -10.998   1.187
   62    H    GLY   8           H        GLY   8  -5.820  -4.569   4.576
   63   1HA   GLY   8          1HA       GLY   8  -5.631  -6.576   6.614
   64   2HA   GLY   8          2HA       GLY   8  -6.170  -4.918   6.787
   65    H    LEU   9           H        LEU   9  -8.187  -5.217   4.530
   66    HA   LEU   9           HA       LEU   9 -10.270  -6.343   6.187
   67   1HB   LEU   9          2HB       LEU   9 -11.315  -4.598   5.342
   68   2HB   LEU   9          3HB       LEU   9 -10.037  -4.309   4.179
   69    HG   LEU   9           HG       LEU   9 -12.162  -4.558   3.051
   70   1HD1  LEU   9          1HD1      LEU   9 -11.232  -7.081   2.066
   71   2HD1  LEU   9          2HD1      LEU   9 -11.072  -5.460   1.346
   72   3HD1  LEU   9          3HD1      LEU   9  -9.830  -6.061   2.472
   73   1HD2  LEU   9          1HD2      LEU   9 -13.745  -5.954   3.728
   74   2HD2  LEU   9          2HD2      LEU   9 -12.699  -7.353   3.391
   75   3HD2  LEU   9          3HD2      LEU   9 -12.645  -6.566   4.986
   76    H    MET  10           H        MET  10  -8.189  -7.272   3.552
   77    HA   MET  10           HA       MET  10  -9.949  -9.108   2.367
   78   1HB   MET  10          2HB       MET  10  -6.997  -8.473   2.313
   79   2HB   MET  10          3HB       MET  10  -7.460 -10.056   1.720
   80   1HG   MET  10          2HG       MET  10  -8.976  -7.624   0.739
   81   2HG   MET  10          3HG       MET  10  -7.394  -7.965   0.069
   82   1HE   MET  10          1HE       MET  10 -10.209  -8.931  -2.391
   83   2HE   MET  10          2HE       MET  10 -11.193  -8.917  -0.907
   84   3HE   MET  10          3HE       MET  10  -9.993  -7.634  -1.192
  Start of MODEL   12
    1   1H    ALA   1          H         ALA   1  -2.584   4.677   1.025
    2    HA   ALA   1           HA       ALA   1  -1.364   3.578   3.435
    3   1HB   ALA   1          1HB       ALA   1  -1.877   6.265   3.272
    4   2HB   ALA   1          2HB       ALA   1  -3.422   5.657   3.912
    5   3HB   ALA   1          3HB       ALA   1  -1.906   5.326   4.783
    6    H    LYS   2           H        LYS   2  -4.362   4.562   1.661
    7    HA   LYS   2           HA       LYS   2  -6.012   2.787   3.125
    8   1HB   LYS   2          2HB       LYS   2  -6.283   4.618   0.801
    9   2HB   LYS   2          3HB       LYS   2  -7.422   3.289   0.868
   10   1HG   LYS   2          2HG       LYS   2  -8.576   4.259   2.567
   11   2HG   LYS   2          3HG       LYS   2  -7.121   4.458   3.523
   12   1HD   LYS   2          2HD       LYS   2  -7.890   6.682   3.161
   13   2HD   LYS   2          3HD       LYS   2  -6.576   6.491   2.017
   14   1HE   LYS   2          2HE       LYS   2  -8.123   6.104   0.175
   15   2HE   LYS   2          3HE       LYS   2  -9.487   5.971   1.267
   16   1HZ   LYS   2          1HZ       LYS   2  -9.653   8.164   0.618
   17   2HZ   LYS   2          2HZ       LYS   2  -8.714   8.385   1.929
   18    H    PHE   3           H        PHE   3  -3.769   2.449   0.457
   19    HA   PHE   3           HA       PHE   3  -4.946   0.185  -0.730
   20   1HB   PHE   3          2HB       PHE   3  -2.314   1.666  -0.640
   21   2HB   PHE   3          3HB       PHE   3  -2.221   0.010  -1.206
   22    HD1  PHE   3           HD1      PHE   3  -3.829  -0.647  -3.132
   23    HD2  PHE   3           HD2      PHE   3  -2.890   3.366  -2.121
   24    HE1  PHE   3           HE1      PHE   3  -4.540   0.096  -5.421
   25    HE2  PHE   3           HE2      PHE   3  -3.601   4.109  -4.411
   26    HZ   PHE   3           HZ       PHE   3  -4.417   2.465  -6.034
   27    H    ASP   4           H        ASP   4  -2.984   0.691   2.165
   28    HA   ASP   4           HA       ASP   4  -2.195  -2.050   2.275
   29   1HB   ASP   4          2HB       ASP   4  -1.672   0.456   3.768
   30   2HB   ASP   4          3HB       ASP   4  -1.784  -0.945   4.813
   31    HD2  ASP   4           HD2      ASP   4   1.200   0.038   4.308
   32    H    LYS   5           H        LYS   5  -4.854   0.015   3.276
   33    HA   LYS   5           HA       LYS   5  -5.688  -1.582   5.489
   34   1HB   LYS   5          2HB       LYS   5  -6.290   0.971   4.408
   35   2HB   LYS   5          3HB       LYS   5  -7.787   0.060   4.393
   36   1HG   LYS   5          2HG       LYS   5  -7.944   0.662   6.593
   37   2HG   LYS   5          3HG       LYS   5  -6.799  -0.636   6.872
   38   1HD   LYS   5          2HD       LYS   5  -5.148   1.496   6.113
   39   2HD   LYS   5          3HD       LYS   5  -6.401   2.290   7.046
   40   1HE   LYS   5          2HE       LYS   5  -5.241   1.651   8.898
   41   2HE   LYS   5          3HE       LYS   5  -5.850   0.035   8.598
   42   1HZ   LYS   5          1HZ       LYS   5  -3.811  -0.640   7.943
   43   2HZ   LYS   5          2HZ       LYS   5  -3.550   0.654   6.989
   44    H    PHE   6           H        PHE   6  -6.141  -1.572   1.981
   45    HA   PHE   6           HA       PHE   6  -8.505  -3.044   1.880
   46   1HB   PHE   6          2HB       PHE   6  -6.153  -2.301   0.175
   47   2HB   PHE   6          3HB       PHE   6  -6.937  -3.783  -0.334
   48    HD1  PHE   6           HD1      PHE   6  -7.964  -0.357   0.764
   49    HD2  PHE   6           HD2      PHE   6  -8.550  -3.562  -1.955
   50    HE1  PHE   6           HE1      PHE   6  -9.715   0.982  -0.437
   51    HE2  PHE   6           HE2      PHE   6 -10.300  -2.222  -3.156
   52    HZ   PHE   6           HZ       PHE   6 -10.862   0.033  -2.383
   53    H    TYR   7           H        TYR   7  -5.089  -3.992   2.349
   54    HA   TYR   7           HA       TYR   7  -5.570  -6.765   1.886
   55   1HB   TYR   7          2HB       TYR   7  -3.381  -5.392   1.697
   56   2HB   TYR   7          3HB       TYR   7  -3.391  -5.238   3.443
   57    HD1  TYR   7           HD1      TYR   7  -2.259  -6.815   4.744
   58    HD2  TYR   7           HD2      TYR   7  -3.420  -7.855   0.759
   59    HE1  TYR   7           HE1      TYR   7  -0.987  -9.007   4.938
   60    HE2  TYR   7           HE2      TYR   7  -2.144 -10.044   0.967
   61    HH   TYR   7           HH       TYR   7  -1.406 -11.462   3.523
   62    H    GLY   8           H        GLY   8  -5.885  -4.551   4.623
   63   1HA   GLY   8          1HA       GLY   8  -5.746  -6.571   6.653
   64   2HA   GLY   8          2HA       GLY   8  -6.273  -4.909   6.826
   65    H    LEU   9           H        LEU   9  -8.249  -5.200   4.519
   66    HA   LEU   9           HA       LEU   9 -10.374  -6.295   6.143
   67   1HB   LEU   9          2HB       LEU   9 -10.420  -4.880   3.474
   68   2HB   LEU   9          3HB       LEU   9 -11.829  -5.336   4.412
   69    HG   LEU   9           HG       LEU   9  -9.834  -3.654   5.826
   70   1HD1  LEU   9          1HD1      LEU   9  -9.968  -1.762   4.611
   71   2HD1  LEU   9          2HD1      LEU   9 -10.277  -2.891   3.269
   72   3HD1  LEU   9          3HD1      LEU   9 -11.638  -2.086   4.085
   73   1HD2  LEU   9          1HD2      LEU   9 -11.563  -3.308   7.174
   74   2HD2  LEU   9          2HD2      LEU   9 -12.564  -2.716   5.828
   75   3HD2  LEU   9          3HD2      LEU   9 -12.498  -4.457   6.187
   76    H    MET  10           H        MET  10  -8.250  -7.260   3.555
   77    HA   MET  10           HA       MET  10 -10.055  -9.164   2.466
   78   1HB   MET  10          2HB       MET  10  -7.115  -8.453   2.157
   79   2HB   MET  10          3HB       MET  10  -7.685  -9.966   1.481
   80   1HG   MET  10          2HG       MET  10  -9.346  -7.542   0.868
   81   2HG   MET  10          3HG       MET  10  -7.762  -7.599   0.120
   82   1HE   MET  10          1HE       MET  10 -11.280  -9.268  -1.724
   83   2HE   MET  10          2HE       MET  10 -11.346  -8.640  -0.059
   84   3HE   MET  10          3HE       MET  10 -10.636  -7.650  -1.356
  Start of MODEL   13
    1   1H    ALA   1          H         ALA   1  -3.662   6.603   2.603
    2    HA   ALA   1           HA       ALA   1  -1.926   4.473   2.650
    3   1HB   ALA   1          1HB       ALA   1  -2.219   6.317   4.353
    4   2HB   ALA   1          2HB       ALA   1  -3.651   5.451   4.957
    5   3HB   ALA   1          3HB       ALA   1  -2.046   4.688   5.052
    6    H    LYS   2           H        LYS   2  -5.411   4.504   2.477
    7    HA   LYS   2           HA       LYS   2  -5.903   2.041   3.744
    8   1HB   LYS   2          2HB       LYS   2  -7.388   3.919   1.970
    9   2HB   LYS   2          3HB       LYS   2  -7.974   2.270   2.039
   10   1HG   LYS   2          2HG       LYS   2  -8.689   2.470   4.212
   11   2HG   LYS   2          3HG       LYS   2  -7.280   3.391   4.700
   12   1HD   LYS   2          2HD       LYS   2  -8.404   5.354   4.501
   13   2HD   LYS   2          3HD       LYS   2  -8.880   4.979   2.856
   14   1HE   LYS   2          2HE       LYS   2 -10.990   4.993   3.798
   15   2HE   LYS   2          3HE       LYS   2 -10.594   3.319   4.128
   16   1HZ   LYS   2          1HZ       LYS   2  -9.604   4.297   6.308
   17   2HZ   LYS   2          2HZ       LYS   2 -10.544   5.590   6.001
   18    H    PHE   3           H        PHE   3  -4.183   2.828   0.899
   19    HA   PHE   3           HA       PHE   3  -4.918   0.821  -0.844
   20   1HB   PHE   3          2HB       PHE   3  -2.582   2.587  -0.211
   21   2HB   PHE   3          3HB       PHE   3  -2.128   1.127  -1.069
   22    HD1  PHE   3           HD1      PHE   3  -3.180   0.654  -3.307
   23    HD2  PHE   3           HD2      PHE   3  -3.630   4.384  -1.337
   24    HE1  PHE   3           HE1      PHE   3  -3.858   1.718  -5.477
   25    HE2  PHE   3           HE2      PHE   3  -4.308   5.449  -3.506
   26    HZ   PHE   3           HZ       PHE   3  -4.414   4.103  -5.551
   27    H    ASP   4           H        ASP   4  -2.578   0.781   1.909
   28    HA   ASP   4           HA       ASP   4  -1.912  -1.935   1.335
   29   1HB   ASP   4          2HB       ASP   4  -0.707   0.199   2.715
   30   2HB   ASP   4          3HB       ASP   4  -1.168  -0.901   3.999
   31    HD2  ASP   4           HD2      ASP   4   1.570  -0.892   1.506
   32    H    LYS   5           H        LYS   5  -4.364  -0.169   3.016
   33    HA   LYS   5           HA       LYS   5  -4.771  -2.014   5.155
   34   1HB   LYS   5          2HB       LYS   5  -6.555   0.180   4.058
   35   2HB   LYS   5          3HB       LYS   5  -6.802  -0.681   5.564
   36   1HG   LYS   5          2HG       LYS   5  -4.425   0.094   6.237
   37   2HG   LYS   5          3HG       LYS   5  -4.482   1.161   4.848
   38   1HD   LYS   5          2HD       LYS   5  -6.915   1.720   6.029
   39   2HD   LYS   5          3HD       LYS   5  -5.947   1.343   7.438
   40   1HE   LYS   5          2HE       LYS   5  -4.759   3.178   5.357
   41   2HE   LYS   5          3HE       LYS   5  -6.008   3.822   6.403
   42   1HZ   LYS   5          1HZ       LYS   5  -3.830   2.333   7.678
   43   2HZ   LYS   5          2HZ       LYS   5  -3.492   3.832   7.138
   44    H    PHE   6           H        PHE   6  -5.407  -2.006   1.770
   45    HA   PHE   6           HA       PHE   6  -7.851  -3.249   1.601
   46   1HB   PHE   6          2HB       PHE   6  -7.100  -3.695  -0.629
   47   2HB   PHE   6          3HB       PHE   6  -6.055  -2.369  -0.156
   48    HD1  PHE   6           HD1      PHE   6  -6.114  -5.533  -1.605
   49    HD2  PHE   6           HD2      PHE   6  -3.807  -3.167   1.057
   50    HE1  PHE   6           HE1      PHE   6  -4.098  -6.946  -2.095
   51    HE2  PHE   6           HE2      PHE   6  -1.792  -4.580   0.567
   52    HZ   PHE   6           HZ       PHE   6  -1.961  -6.454  -1.002
   53    H    TYR   7           H        TYR   7  -4.633  -4.587   2.433
   54    HA   TYR   7           HA       TYR   7  -5.479  -7.302   2.212
   55   1HB   TYR   7          2HB       TYR   7  -3.108  -6.040   2.163
   56   2HB   TYR   7          3HB       TYR   7  -3.208  -6.139   3.909
   57    HD1  TYR   7           HD1      TYR   7  -2.700  -8.162   5.065
   58    HD2  TYR   7           HD2      TYR   7  -3.079  -8.177   0.804
   59    HE1  TYR   7           HE1      TYR   7  -1.735 -10.512   4.980
   60    HE2  TYR   7           HE2      TYR   7  -2.112 -10.527   0.733
   61    HH   TYR   7           HH       TYR   7  -1.566 -12.282   1.926
   62    H    GLY   8           H        GLY   8  -5.627  -4.782   4.684
   63   1HA   GLY   8          1HA       GLY   8  -5.891  -6.570   6.911
   64   2HA   GLY   8          2HA       GLY   8  -6.180  -4.841   6.881
   65    H    LEU   9           H        LEU   9  -8.047  -5.103   4.483
   66    HA   LEU   9           HA       LEU   9 -10.394  -5.713   6.055
   67   1HB   LEU   9          2HB       LEU   9  -9.817  -4.311   3.480
   68   2HB   LEU   9          3HB       LEU   9 -11.433  -4.930   3.763
   69    HG   LEU   9           HG       LEU   9 -10.352  -3.371   6.015
   70   1HD1  LEU   9          1HD1      LEU   9 -10.537  -1.196   4.975
   71   2HD1  LEU   9          2HD1      LEU   9  -9.312  -2.167   4.124
   72   3HD1  LEU   9          3HD1      LEU   9 -10.925  -1.941   3.405
   73   1HD2  LEU   9          1HD2      LEU   9 -12.669  -4.147   5.912
   74   2HD2  LEU   9          2HD2      LEU   9 -12.581  -2.370   5.960
   75   3HD2  LEU   9          3HD2      LEU   9 -12.927  -3.203   4.425
   76    H    MET  10           H        MET  10  -8.294  -7.236   3.732
   77    HA   MET  10           HA       MET  10 -10.236  -8.931   2.607
   78   1HB   MET  10          2HB       MET  10  -7.371  -8.413   2.423
   79   2HB   MET  10          3HB       MET  10  -7.612 -10.143   2.565
   80   1HG   MET  10          2HG       MET  10  -9.512  -8.846   0.687
   81   2HG   MET  10          3HG       MET  10  -7.836  -8.674   0.205
   82   1HE   MET  10          1HE       MET  10  -8.512 -11.089  -2.134
   83   2HE   MET  10          2HE       MET  10 -10.137 -11.344  -1.451
   84   3HE   MET  10          3HE       MET  10  -9.455  -9.702  -1.537
  Start of MODEL   14
    1   1H    ALA   1          H         ALA   1  -2.298   4.443   4.965
    2    HA   ALA   1           HA       ALA   1  -2.237   4.874   2.066
    3   1HB   ALA   1          1HB       ALA   1  -0.180   3.827   2.285
    4   2HB   ALA   1          2HB       ALA   1  -0.674   2.921   3.736
    5   3HB   ALA   1          3HB       ALA   1  -1.246   2.410   2.130
    6    H    LYS   2           H        LYS   2  -4.175   4.324   1.212
    7    HA   LYS   2           HA       LYS   2  -5.989   2.777   2.843
    8   1HB   LYS   2          2HB       LYS   2  -6.314   4.231   0.204
    9   2HB   LYS   2          3HB       LYS   2  -7.600   3.342   0.994
   10   1HG   LYS   2          2HG       LYS   2  -6.039   5.544   2.412
   11   2HG   LYS   2          3HG       LYS   2  -7.480   5.879   1.472
   12   1HD   LYS   2          2HD       LYS   2  -8.823   4.388   2.903
   13   2HD   LYS   2          3HD       LYS   2  -7.393   3.879   3.779
   14   1HE   LYS   2          2HE       LYS   2  -7.054   6.158   4.655
   15   2HE   LYS   2          3HE       LYS   2  -8.365   6.773   3.670
   16   1HZ   LYS   2          1HZ       LYS   2  -9.755   6.209   5.322
   17   2HZ   LYS   2          2HZ       LYS   2  -9.379   4.633   5.159
   18    H    PHE   3           H        PHE   3  -3.736   2.331   0.200
   19    HA   PHE   3           HA       PHE   3  -5.000   0.068  -0.932
   20   1HB   PHE   3          2HB       PHE   3  -2.755  -0.137  -2.035
   21   2HB   PHE   3          3HB       PHE   3  -3.283   1.534  -2.048
   22    HD1  PHE   3           HD1      PHE   3  -1.024  -0.865  -0.382
   23    HD2  PHE   3           HD2      PHE   3  -2.048   3.219  -0.916
   24    HE1  PHE   3           HE1      PHE   3   1.112  -0.182   0.745
   25    HE2  PHE   3           HE2      PHE   3   0.088   3.902   0.212
   26    HZ   PHE   3           HZ       PHE   3   1.642   2.194   1.029
   27    H    ASP   4           H        ASP   4  -2.935   0.621   1.882
   28    HA   ASP   4           HA       ASP   4  -2.160  -2.121   2.024
   29   1HB   ASP   4          2HB       ASP   4  -0.822  -0.068   2.857
   30   2HB   ASP   4          3HB       ASP   4  -1.947   0.003   4.200
   31    HD2  ASP   4           HD2      ASP   4   0.694  -0.388   4.673
   32    H    LYS   5           H        LYS   5  -4.767  -0.015   3.073
   33    HA   LYS   5           HA       LYS   5  -5.535  -1.560   5.347
   34   1HB   LYS   5          2HB       LYS   5  -6.094   0.988   4.334
   35   2HB   LYS   5          3HB       LYS   5  -7.614   0.127   4.197
   36   1HG   LYS   5          2HG       LYS   5  -7.445  -0.565   6.594
   37   2HG   LYS   5          3HG       LYS   5  -5.916   0.279   6.733
   38   1HD   LYS   5          2HD       LYS   5  -7.387   1.905   7.547
   39   2HD   LYS   5          3HD       LYS   5  -7.282   2.374   5.861
   40   1HE   LYS   5          2HE       LYS   5  -9.560   2.248   5.852
   41   2HE   LYS   5          3HE       LYS   5  -9.340   0.511   5.787
   42   1HZ   LYS   5          1HZ       LYS   5 -10.066   2.165   8.084
   43   2HZ   LYS   5          2HZ       LYS   5 -10.595   0.677   7.685
   44    H    PHE   6           H        PHE   6  -6.106  -1.620   1.858
   45    HA   PHE   6           HA       PHE   6  -8.485  -3.070   1.867
   46   1HB   PHE   6          2HB       PHE   6  -6.179  -2.397   0.070
   47   2HB   PHE   6          3HB       PHE   6  -7.001  -3.879  -0.379
   48    HD1  PHE   6           HD1      PHE   6  -9.517  -3.774  -0.784
   49    HD2  PHE   6           HD2      PHE   6  -7.087  -0.307  -0.494
   50    HE1  PHE   6           HE1      PHE   6 -11.286  -2.437  -1.959
   51    HE2  PHE   6           HE2      PHE   6  -8.857   1.030  -1.669
   52    HZ   PHE   6           HZ       PHE   6 -10.935  -0.050  -2.387
   53    H    TYR   7           H        TYR   7  -5.065  -4.046   2.245
   54    HA   TYR   7           HA       TYR   7  -5.592  -6.823   1.865
   55   1HB   TYR   7          2HB       TYR   7  -3.381  -5.019   2.990
   56   2HB   TYR   7          3HB       TYR   7  -3.212  -6.760   3.088
   57    HD1  TYR   7           HD1      TYR   7  -4.003  -7.862   0.604
   58    HD2  TYR   7           HD2      TYR   7  -2.085  -4.102   1.308
   59    HE1  TYR   7           HE1      TYR   7  -3.054  -7.896  -1.753
   60    HE2  TYR   7           HE2      TYR   7  -1.143  -4.149  -1.053
   61    HH   TYR   7           HH       TYR   7  -1.993  -6.774  -3.280
   62    H    GLY   8           H        GLY   8  -5.795  -4.541   4.554
   63   1HA   GLY   8          1HA       GLY   8  -5.613  -6.522   6.624
   64   2HA   GLY   8          2HA       GLY   8  -6.092  -4.843   6.781
   65    H    LEU   9           H        LEU   9  -8.148  -5.176   4.526
   66    HA   LEU   9           HA       LEU   9 -10.249  -6.140   6.260
   67   1HB   LEU   9          2HB       LEU   9 -10.057  -4.508   3.777
   68   2HB   LEU   9          3HB       LEU   9 -11.550  -5.378   4.068
   69    HG   LEU   9           HG       LEU   9 -11.580  -3.025   4.857
   70   1HD1  LEU   9          1HD1      LEU   9 -13.241  -4.089   5.956
   71   2HD1  LEU   9          2HD1      LEU   9 -12.172  -5.376   6.563
   72   3HD1  LEU   9          3HD1      LEU   9 -12.196  -3.788   7.365
   73   1HD2  LEU   9          1HD2      LEU   9  -9.450  -2.510   5.612
   74   2HD2  LEU   9          2HD2      LEU   9 -10.369  -2.676   7.126
   75   3HD2  LEU   9          3HD2      LEU   9  -9.315  -4.000   6.576
   76    H    MET  10           H        MET  10  -8.257  -7.249   3.606
   77    HA   MET  10           HA       MET  10 -10.167  -9.291   2.910
   78   1HB   MET  10          2HB       MET  10  -8.812  -9.607   0.998
   79   2HB   MET  10          3HB       MET  10  -8.477  -7.924   1.353
   80   1HG   MET  10          2HG       MET  10  -6.282  -8.603   1.283
   81   2HG   MET  10          3HG       MET  10  -6.579  -9.106   2.935
   82   1HE   MET  10          1HE       MET  10  -5.148 -12.246   2.847
   83   2HE   MET  10          2HE       MET  10  -5.774 -10.799   3.673
   84   3HE   MET  10          3HE       MET  10  -6.824 -12.219   3.450
  Start of MODEL   15
    1   1H    ALA   1          H         ALA   1  -3.993   6.019   2.560
    2    HA   ALA   1           HA       ALA   1  -1.801   4.096   2.887
    3   1HB   ALA   1          1HB       ALA   1  -2.042   4.414   5.233
    4   2HB   ALA   1          2HB       ALA   1  -2.155   6.043   4.525
    5   3HB   ALA   1          3HB       ALA   1  -3.631   5.194   5.045
    6    H    LYS   2           H        LYS   2  -5.238   4.508   2.394
    7    HA   LYS   2           HA       LYS   2  -6.107   2.126   3.606
    8   1HB   LYS   2          2HB       LYS   2  -7.231   4.028   1.567
    9   2HB   LYS   2          3HB       LYS   2  -8.041   2.506   1.876
   10   1HG   LYS   2          2HG       LYS   2  -9.016   3.466   3.684
   11   2HG   LYS   2          3HG       LYS   2  -7.441   3.505   4.451
   12   1HD   LYS   2          2HD       LYS   2  -7.863   5.770   4.519
   13   2HD   LYS   2          3HD       LYS   2  -7.173   5.714   2.909
   14   1HE   LYS   2          2HE       LYS   2  -9.215   6.929   2.650
   15   2HE   LYS   2          3HE       LYS   2  -9.570   5.330   2.029
   16   1HZ   LYS   2          1HZ       LYS   2 -10.216   5.028   4.613
   17   2HZ   LYS   2          2HZ       LYS   2 -10.583   6.604   4.431
   18    H    PHE   3           H        PHE   3  -4.274   2.807   0.721
   19    HA   PHE   3           HA       PHE   3  -5.054   0.685  -0.882
   20   1HB   PHE   3          2HB       PHE   3  -2.602   2.409  -0.403
   21   2HB   PHE   3          3HB       PHE   3  -2.387   1.005  -1.428
   22    HD1  PHE   3           HD1      PHE   3  -4.677   3.929  -1.043
   23    HD2  PHE   3           HD2      PHE   3  -2.752   1.234  -3.696
   24    HE1  PHE   3           HE1      PHE   3  -5.568   5.220  -3.002
   25    HE2  PHE   3           HE2      PHE   3  -3.643   2.525  -5.655
   26    HZ   PHE   3           HZ       PHE   3  -5.041   4.503  -5.285
   27    H    ASP   4           H        ASP   4  -2.731   0.868   1.859
   28    HA   ASP   4           HA       ASP   4  -1.891  -1.821   1.392
   29   1HB   ASP   4          2HB       ASP   4  -0.782  -1.357   3.744
   30   2HB   ASP   4          3HB       ASP   4  -0.154  -0.557   2.316
   31    HD2  ASP   4           HD2      ASP   4  -2.872   0.458   4.513
   32    H    LYS   5           H        LYS   5  -4.424  -0.100   3.052
   33    HA   LYS   5           HA       LYS   5  -4.790  -1.971   5.177
   34   1HB   LYS   5          2HB       LYS   5  -6.560   0.242   4.096
   35   2HB   LYS   5          3HB       LYS   5  -6.892  -0.686   5.546
   36   1HG   LYS   5          2HG       LYS   5  -4.242   0.124   5.933
   37   2HG   LYS   5          3HG       LYS   5  -4.949   1.507   5.121
   38   1HD   LYS   5          2HD       LYS   5  -6.481   0.232   7.395
   39   2HD   LYS   5          3HD       LYS   5  -5.101   1.244   7.779
   40   1HE   LYS   5          2HE       LYS   5  -6.674   2.926   7.704
   41   2HE   LYS   5          3HE       LYS   5  -6.323   2.885   5.987
   42   1HZ   LYS   5          1HZ       LYS   5  -8.477   2.369   5.699
   43   2HZ   LYS   5          2HZ       LYS   5  -8.229   0.921   6.402
   44    H    PHE   6           H        PHE   6  -5.399  -1.973   1.796
   45    HA   PHE   6           HA       PHE   6  -7.829  -3.238   1.597
   46   1HB   PHE   6          2HB       PHE   6  -7.047  -3.672  -0.620
   47   2HB   PHE   6          3HB       PHE   6  -5.999  -2.355  -0.132
   48    HD1  PHE   6           HD1      PHE   6  -6.060  -5.517  -1.583
   49    HD2  PHE   6           HD2      PHE   6  -3.773  -3.170   1.112
   50    HE1  PHE   6           HE1      PHE   6  -4.049  -6.946  -2.046
   51    HE2  PHE   6           HE2      PHE   6  -1.762  -4.597   0.650
   52    HZ   PHE   6           HZ       PHE   6  -1.923  -6.469  -0.924
   53    H    TYR   7           H        TYR   7  -4.616  -4.546   2.486
   54    HA   TYR   7           HA       TYR   7  -5.438  -7.270   2.265
   55   1HB   TYR   7          2HB       TYR   7  -3.075  -6.034   2.219
   56   2HB   TYR   7          3HB       TYR   7  -3.200  -6.036   3.966
   57    HD1  TYR   7           HD1      TYR   7  -3.760  -8.436   5.024
   58    HD2  TYR   7           HD2      TYR   7  -1.959  -7.796   1.196
   59    HE1  TYR   7           HE1      TYR   7  -2.781 -10.782   5.083
   60    HE2  TYR   7           HE2      TYR   7  -0.987 -10.143   1.269
   61    HH   TYR   7           HH       TYR   7  -1.862 -12.413   2.629
   62    H    GLY   8           H        GLY   8  -5.639  -4.739   4.724
   63   1HA   GLY   8          1HA       GLY   8  -5.930  -6.521   6.953
   64   2HA   GLY   8          2HA       GLY   8  -6.225  -4.794   6.912
   65    H    LEU   9           H        LEU   9  -8.054  -5.075   4.485
   66    HA   LEU   9           HA       LEU   9 -10.423  -5.684   6.023
   67   1HB   LEU   9          2HB       LEU   9 -10.613  -3.692   4.866
   68   2HB   LEU   9          3HB       LEU   9  -9.821  -4.315   3.431
   69    HG   LEU   9           HG       LEU   9 -11.967  -5.875   3.324
   70   1HD1  LEU   9          1HD1      LEU   9 -13.962  -4.929   4.175
   71   2HD1  LEU   9          2HD1      LEU   9 -12.801  -4.950   5.526
   72   3HD1  LEU   9          3HD1      LEU   9 -13.135  -3.430   4.661
   73   1HD2  LEU   9          1HD2      LEU   9 -13.059  -4.127   1.898
   74   2HD2  LEU   9          2HD2      LEU   9 -11.814  -2.981   2.450
   75   3HD2  LEU   9          3HD2      LEU   9 -11.345  -4.430   1.528
   76    H    MET  10           H        MET  10  -8.280  -7.213   3.739
   77    HA   MET  10           HA       MET  10 -10.199  -8.924   2.600
   78   1HB   MET  10          2HB       MET  10  -7.667  -8.241   1.949
   79   2HB   MET  10          3HB       MET  10  -7.269  -9.667   2.887
   80   1HG   MET  10          2HG       MET  10  -7.514 -10.551   0.711
   81   2HG   MET  10          3HG       MET  10  -9.082 -10.882   1.421
   82   1HE   MET  10          1HE       MET  10 -10.714 -10.308  -1.548
   83   2HE   MET  10          2HE       MET  10 -10.562 -11.038   0.068
   84   3HE   MET  10          3HE       MET  10 -11.532  -9.563  -0.155
  Start of MODEL   16
    1   1H    ALA   1          H         ALA   1  -1.632   3.236   4.514
    2    HA   ALA   1           HA       ALA   1  -2.925   5.277   2.845
    3   1HB   ALA   1          1HB       ALA   1  -1.355   4.931   1.275
    4   2HB   ALA   1          2HB       ALA   1  -0.587   3.662   2.259
    5   3HB   ALA   1          3HB       ALA   1  -1.916   3.247   1.149
    6    H    LYS   2           H        LYS   2  -4.828   4.585   1.771
    7    HA   LYS   2           HA       LYS   2  -6.242   2.555   3.113
    8   1HB   LYS   2          2HB       LYS   2  -8.061   3.330   1.973
    9   2HB   LYS   2          3HB       LYS   2  -7.013   4.726   1.818
   10   1HG   LYS   2          2HG       LYS   2  -6.175   3.594  -0.397
   11   2HG   LYS   2          3HG       LYS   2  -7.602   2.586  -0.259
   12   1HD   LYS   2          2HD       LYS   2  -9.056   4.324  -0.731
   13   2HD   LYS   2          3HD       LYS   2  -8.075   5.517   0.096
   14   1HE   LYS   2          2HE       LYS   2  -6.435   4.775  -2.039
   15   2HE   LYS   2          3HE       LYS   2  -8.034   4.693  -2.751
   16   1HZ   LYS   2          1HZ       LYS   2  -8.291   6.936  -2.563
   17   2HZ   LYS   2          2HZ       LYS   2  -7.537   7.049  -1.123
   18    H    PHE   3           H        PHE   3  -4.143   2.629   0.273
   19    HA   PHE   3           HA       PHE   3  -5.091   0.320  -0.975
   20   1HB   PHE   3          2HB       PHE   3  -2.645   2.071  -0.874
   21   2HB   PHE   3          3HB       PHE   3  -2.344   0.450  -1.466
   22    HD1  PHE   3           HD1      PHE   3  -5.127   2.901  -1.963
   23    HD2  PHE   3           HD2      PHE   3  -2.184   0.426  -3.759
   24    HE1  PHE   3           HE1      PHE   3  -5.942   3.581  -4.237
   25    HE2  PHE   3           HE2      PHE   3  -2.999   1.106  -6.033
   26    HZ   PHE   3           HZ       PHE   3  -4.869   2.676  -6.245
   27    H    ASP   4           H        ASP   4  -2.980   0.846   1.839
   28    HA   ASP   4           HA       ASP   4  -2.048  -1.850   1.780
   29   1HB   ASP   4          2HB       ASP   4  -0.906   0.351   2.738
   30   2HB   ASP   4          3HB       ASP   4  -1.851   0.001   4.173
   31    HD2  ASP   4           HD2      ASP   4  -0.720  -0.963   5.557
   32    H    LYS   5           H        LYS   5  -4.741   0.013   3.025
   33    HA   LYS   5           HA       LYS   5  -5.314  -1.679   5.250
   34   1HB   LYS   5          2HB       LYS   5  -5.969   0.627   5.348
   35   2HB   LYS   5          3HB       LYS   5  -6.856   0.511   3.841
   36   1HG   LYS   5          2HG       LYS   5  -8.381  -1.201   4.923
   37   2HG   LYS   5          3HG       LYS   5  -7.535  -0.949   6.438
   38   1HD   LYS   5          2HD       LYS   5  -8.113   1.651   5.802
   39   2HD   LYS   5          3HD       LYS   5  -9.458   0.852   5.013
   40   1HE   LYS   5          2HE       LYS   5 -10.350   0.040   7.023
   41   2HE   LYS   5          3HE       LYS   5  -8.794  -0.005   7.826
   42   1HZ   LYS   5          1HZ       LYS   5 -10.649   1.998   8.061
   43   2HZ   LYS   5          2HZ       LYS   5  -9.101   2.089   8.560
   44    H    PHE   6           H        PHE   6  -5.853  -1.747   1.792
   45    HA   PHE   6           HA       PHE   6  -8.198  -3.187   1.650
   46   1HB   PHE   6          2HB       PHE   6  -7.387  -2.560  -0.457
   47   2HB   PHE   6          3HB       PHE   6  -5.717  -2.656   0.065
   48    HD1  PHE   6           HD1      PHE   6  -4.382  -4.366  -0.746
   49    HD2  PHE   6           HD2      PHE   6  -8.596  -4.869  -0.789
   50    HE1  PHE   6           HE1      PHE   6  -4.113  -6.520  -2.006
   51    HE2  PHE   6           HE2      PHE   6  -8.326  -7.023  -2.049
   52    HZ   PHE   6           HZ       PHE   6  -6.088  -7.823  -2.642
   53    H    TYR   7           H        TYR   7  -4.812  -4.293   2.209
   54    HA   TYR   7           HA       TYR   7  -5.438  -7.047   2.026
   55   1HB   TYR   7          2HB       TYR   7  -3.205  -5.415   2.093
   56   2HB   TYR   7          3HB       TYR   7  -3.221  -5.929   3.767
   57    HD1  TYR   7           HD1      TYR   7  -2.584  -8.163   4.397
   58    HD2  TYR   7           HD2      TYR   7  -2.930  -7.103   0.267
   59    HE1  TYR   7           HE1      TYR   7  -1.410 -10.319   3.737
   60    HE2  TYR   7           HE2      TYR   7  -1.754  -9.263  -0.379
   61    HH   TYR   7           HH       TYR   7   0.045 -10.838   1.083
   62    H    GLY   8           H        GLY   8  -5.727  -4.604   4.564
   63   1HA   GLY   8          1HA       GLY   8  -5.770  -6.455   6.752
   64   2HA   GLY   8          2HA       GLY   8  -6.210  -4.758   6.772
   65    H    LEU   9           H        LEU   9  -8.117  -5.144   4.416
   66    HA   LEU   9           HA       LEU   9 -10.354  -5.985   6.039
   67   1HB   LEU   9          2HB       LEU   9  -9.883  -4.163   3.878
   68   2HB   LEU   9          3HB       LEU   9 -11.147  -5.284   3.412
   69    HG   LEU   9           HG       LEU   9 -11.326  -3.986   6.105
   70   1HD1  LEU   9          1HD1      LEU   9 -12.742  -2.213   4.647
   71   2HD1  LEU   9          2HD1      LEU   9 -11.055  -1.959   5.152
   72   3HD1  LEU   9          3HD1      LEU   9 -11.413  -2.554   3.513
   73   1HD2  LEU   9          1HD2      LEU   9 -13.469  -4.648   6.052
   74   2HD2  LEU   9          2HD2      LEU   9 -13.680  -4.189   4.345
   75   3HD2  LEU   9          3HD2      LEU   9 -12.921  -5.744   4.761
   76    H    MET  10           H        MET  10  -8.196  -7.276   3.627
   77    HA   MET  10           HA       MET  10 -10.070  -9.183   2.653
   78   1HB   MET  10          2HB       MET  10  -7.949  -8.164   1.483
   79   2HB   MET  10          3HB       MET  10  -7.019  -9.295   2.444
   80   1HG   MET  10          2HG       MET  10  -8.772 -11.075   1.468
   81   2HG   MET  10          3HG       MET  10  -8.981  -9.867   0.216
   82   1HE   MET  10          1HE       MET  10  -7.128 -12.415  -1.481
   83   2HE   MET  10          2HE       MET  10  -8.495 -11.283  -1.358
   84   3HE   MET  10          3HE       MET  10  -6.993 -10.779  -2.168
  Start of MODEL   17
    1   1H    ALA   1          H         ALA   1  -1.282   4.835   4.550
    2    HA   ALA   1           HA       ALA   1  -2.840   5.198   2.879
    3   1HB   ALA   1          1HB       ALA   1  -1.123   2.856   1.959
    4   2HB   ALA   1          2HB       ALA   1  -1.914   4.057   0.910
    5   3HB   ALA   1          3HB       ALA   1  -0.605   4.558   2.007
    6    H    LYS   2           H        LYS   2  -4.727   4.548   1.738
    7    HA   LYS   2           HA       LYS   2  -6.236   2.570   3.058
    8   1HB   LYS   2          2HB       LYS   2  -7.934   3.092   1.330
    9   2HB   LYS   2          3HB       LYS   2  -7.307   4.514   2.138
   10   1HG   LYS   2          2HG       LYS   2  -5.544   4.234  -0.004
   11   2HG   LYS   2          3HG       LYS   2  -7.060   3.701  -0.702
   12   1HD   LYS   2          2HD       LYS   2  -7.907   5.816  -0.728
   13   2HD   LYS   2          3HD       LYS   2  -7.446   6.106   0.937
   14   1HE   LYS   2          2HE       LYS   2  -4.974   6.183  -0.235
   15   2HE   LYS   2          3HE       LYS   2  -5.950   6.726  -1.585
   16   1HZ   LYS   2          1HZ       LYS   2  -6.675   7.999   0.893
   17   2HZ   LYS   2          2HZ       LYS   2  -5.132   8.305   0.471
   18    H    PHE   3           H        PHE   3  -4.101   2.586   0.230
   19    HA   PHE   3           HA       PHE   3  -5.075   0.274  -0.994
   20   1HB   PHE   3          2HB       PHE   3  -2.613   2.000  -0.908
   21   2HB   PHE   3          3HB       PHE   3  -2.320   0.366  -1.469
   22    HD1  PHE   3           HD1      PHE   3  -3.804   3.579  -2.261
   23    HD2  PHE   3           HD2      PHE   3  -3.423  -0.454  -3.527
   24    HE1  PHE   3           HE1      PHE   3  -4.598   4.223  -4.554
   25    HE2  PHE   3           HE2      PHE   3  -4.218   0.191  -5.819
   26    HZ   PHE   3           HZ       PHE   3  -4.796   2.522  -6.305
   27    H    ASP   4           H        ASP   4  -2.971   0.804   1.824
   28    HA   ASP   4           HA       ASP   4  -2.071  -1.904   1.798
   29   1HB   ASP   4          2HB       ASP   4  -0.602  -0.129   2.658
   30   2HB   ASP   4          3HB       ASP   4  -1.814   0.364   3.825
   31    HD2  ASP   4           HD2      ASP   4   0.649  -2.633   4.643
   32    H    LYS   5           H        LYS   5  -4.746   0.005   3.011
   33    HA   LYS   5           HA       LYS   5  -5.352  -1.658   5.250
   34   1HB   LYS   5          2HB       LYS   5  -6.857   0.541   3.812
   35   2HB   LYS   5          3HB       LYS   5  -7.514  -0.324   5.188
   36   1HG   LYS   5          2HG       LYS   5  -4.732   0.817   5.443
   37   2HG   LYS   5          3HG       LYS   5  -6.080   1.935   5.487
   38   1HD   LYS   5          2HD       LYS   5  -7.130   0.411   7.283
   39   2HD   LYS   5          3HD       LYS   5  -5.598  -0.439   7.339
   40   1HE   LYS   5          2HE       LYS   5  -4.903   1.118   8.843
   41   2HE   LYS   5          3HE       LYS   5  -4.839   2.261   7.515
   42   1HZ   LYS   5          1HZ       LYS   5  -7.414   2.418   8.071
   43   2HZ   LYS   5          2HZ       LYS   5  -6.914   1.957   9.551
   44    H    PHE   6           H        PHE   6  -5.877  -1.751   1.789
   45    HA   PHE   6           HA       PHE   6  -8.239  -3.165   1.653
   46   1HB   PHE   6          2HB       PHE   6  -7.415  -2.563  -0.457
   47   2HB   PHE   6          3HB       PHE   6  -5.747  -2.676   0.070
   48    HD1  PHE   6           HD1      PHE   6  -8.633  -4.665  -1.109
   49    HD2  PHE   6           HD2      PHE   6  -4.451  -4.603  -0.389
   50    HE1  PHE   6           HE1      PHE   6  -8.387  -6.832  -2.352
   51    HE2  PHE   6           HE2      PHE   6  -4.205  -6.770  -1.632
   52    HZ   PHE   6           HZ       PHE   6  -6.176  -7.859  -2.598
   53    H    TYR   7           H        TYR   7  -4.868  -4.302   2.234
   54    HA   TYR   7           HA       TYR   7  -5.523  -7.050   2.069
   55   1HB   TYR   7          2HB       TYR   7  -3.309  -5.203   3.014
   56   2HB   TYR   7          3HB       TYR   7  -3.252  -6.843   3.632
   57    HD1  TYR   7           HD1      TYR   7  -1.971  -4.804   1.172
   58    HD2  TYR   7           HD2      TYR   7  -3.754  -8.668   1.613
   59    HE1  TYR   7           HE1      TYR   7  -0.840  -5.579  -0.970
   60    HE2  TYR   7           HE2      TYR   7  -2.616  -9.429  -0.529
   61    HH   TYR   7           HH       TYR   7  -1.683  -8.561  -2.475
   62    H    GLY   8           H        GLY   8  -5.793  -4.584   4.586
   63   1HA   GLY   8          1HA       GLY   8  -5.862  -6.416   6.790
   64   2HA   GLY   8          2HA       GLY   8  -6.285  -4.716   6.793
   65    H    LEU   9           H        LEU   9  -8.188  -5.100   4.435
   66    HA   LEU   9           HA       LEU   9 -10.440  -5.904   6.058
   67   1HB   LEU   9          2HB       LEU   9 -11.361  -4.235   4.964
   68   2HB   LEU   9          3HB       LEU   9  -9.948  -4.067   3.942
   69    HG   LEU   9           HG       LEU   9 -10.983  -5.997   2.547
   70   1HD1  LEU   9          1HD1      LEU   9 -13.627  -5.020   3.522
   71   2HD1  LEU   9          2HD1      LEU   9 -13.172  -6.580   2.794
   72   3HD1  LEU   9          3HD1      LEU   9 -12.772  -6.240   4.495
   73   1HD2  LEU   9          1HD2      LEU   9 -11.565  -3.108   2.599
   74   2HD2  LEU   9          2HD2      LEU   9 -10.974  -4.146   1.279
   75   3HD2  LEU   9          3HD2      LEU   9 -12.712  -4.089   1.657
   76    H    MET  10           H        MET  10  -8.288  -7.237   3.664
   77    HA   MET  10           HA       MET  10 -10.194  -9.152   2.742
   78   1HB   MET  10          2HB       MET  10  -8.364  -8.293   1.276
   79   2HB   MET  10          3HB       MET  10  -7.155  -8.882   2.400
   80   1HG   MET  10          2HG       MET  10  -9.140 -10.899   1.385
   81   2HG   MET  10          3HG       MET  10  -7.963 -10.309   0.229
   82   1HE   MET  10          1HE       MET  10  -7.224 -12.296  -0.214
   83   2HE   MET  10          2HE       MET  10  -5.587 -12.642   0.396
   84   3HE   MET  10          3HE       MET  10  -6.966 -13.630   0.936
  Start of MODEL   18
    1   1H    ALA   1          H         ALA   1  -1.572   5.497   2.024
    2    HA   ALA   1           HA       ALA   1  -1.562   3.498   3.220
    3   1HB   ALA   1          1HB       ALA   1  -3.064   5.743   4.578
    4   2HB   ALA   1          2HB       ALA   1  -2.731   4.221   5.440
    5   3HB   ALA   1          3HB       ALA   1  -1.384   5.205   4.821
    6    H    LYS   2           H        LYS   2  -4.570   4.509   1.859
    7    HA   LYS   2           HA       LYS   2  -6.220   2.595   3.160
    8   1HB   LYS   2          2HB       LYS   2  -7.914   3.312   1.648
    9   2HB   LYS   2          3HB       LYS   2  -7.008   4.733   2.125
   10   1HG   LYS   2          2HG       LYS   2  -6.100   3.262  -0.345
   11   2HG   LYS   2          3HG       LYS   2  -7.573   4.205  -0.457
   12   1HD   LYS   2          2HD       LYS   2  -5.683   5.841   0.936
   13   2HD   LYS   2          3HD       LYS   2  -4.813   5.131  -0.409
   14   1HE   LYS   2          2HE       LYS   2  -6.604   5.907  -1.978
   15   2HE   LYS   2          3HE       LYS   2  -7.478   6.612  -0.635
   16   1HZ   LYS   2          1HZ       LYS   2  -5.684   8.147  -0.265
   17   2HZ   LYS   2          2HZ       LYS   2  -4.701   7.399  -1.325
   18    H    PHE   3           H        PHE   3  -4.013   2.609   0.388
   19    HA   PHE   3           HA       PHE   3  -5.044   0.323  -0.875
   20   1HB   PHE   3          2HB       PHE   3  -2.541   2.011  -0.795
   21   2HB   PHE   3          3HB       PHE   3  -2.328   0.398  -1.448
   22    HD1  PHE   3           HD1      PHE   3  -2.808  -0.012  -3.686
   23    HD2  PHE   3           HD2      PHE   3  -4.453   3.433  -1.833
   24    HE1  PHE   3           HE1      PHE   3  -3.665   0.776  -5.910
   25    HE2  PHE   3           HE2      PHE   3  -5.309   4.221  -4.057
   26    HZ   PHE   3           HZ       PHE   3  -4.905   2.884  -6.069
   27    H    ASP   4           H        ASP   4  -2.914   0.826   1.923
   28    HA   ASP   4           HA       ASP   4  -1.991  -1.874   1.850
   29   1HB   ASP   4          2HB       ASP   4  -0.624  -1.271   3.680
   30   2HB   ASP   4          3HB       ASP   4  -0.750   0.222   2.772
   31    HD2  ASP   4           HD2      ASP   4  -1.847  -1.341   5.662
   32    H    LYS   5           H        LYS   5  -4.664   0.005   3.129
   33    HA   LYS   5           HA       LYS   5  -5.242  -1.711   5.335
   34   1HB   LYS   5          2HB       LYS   5  -6.494   0.675   4.039
   35   2HB   LYS   5          3HB       LYS   5  -7.517  -0.349   5.025
   36   1HG   LYS   5          2HG       LYS   5  -4.873   0.255   6.251
   37   2HG   LYS   5          3HG       LYS   5  -5.880   1.667   5.997
   38   1HD   LYS   5          2HD       LYS   5  -7.360  -0.649   7.117
   39   2HD   LYS   5          3HD       LYS   5  -6.070  -0.081   8.157
   40   1HE   LYS   5          2HE       LYS   5  -7.521   1.522   8.866
   41   2HE   LYS   5          3HE       LYS   5  -7.258   2.306   7.322
   42   1HZ   LYS   5          1HZ       LYS   5  -9.662   1.586   8.076
   43   2HZ   LYS   5          2HZ       LYS   5  -9.244   1.506   6.505
   44    H    PHE   6           H        PHE   6  -5.814  -1.718   1.879
   45    HA   PHE   6           HA       PHE   6  -8.172  -3.137   1.739
   46   1HB   PHE   6          2HB       PHE   6  -7.377  -2.481  -0.366
   47   2HB   PHE   6          3HB       PHE   6  -5.703  -2.601   0.136
   48    HD1  PHE   6           HD1      PHE   6  -4.465  -4.669  -0.140
   49    HD2  PHE   6           HD2      PHE   6  -8.539  -4.414  -1.301
   50    HE1  PHE   6           HE1      PHE   6  -4.229  -6.804  -1.439
   51    HE2  PHE   6           HE2      PHE   6  -8.302  -6.549  -2.598
   52    HZ   PHE   6           HZ       PHE   6  -6.150  -7.719  -2.653
   53    H    TYR   7           H        TYR   7  -4.790  -4.278   2.248
   54    HA   TYR   7           HA       TYR   7  -5.440  -7.024   2.023
   55   1HB   TYR   7          2HB       TYR   7  -3.193  -5.404   2.104
   56   2HB   TYR   7          3HB       TYR   7  -3.196  -5.964   3.765
   57    HD1  TYR   7           HD1      TYR   7  -1.693  -6.550   0.772
   58    HD2  TYR   7           HD2      TYR   7  -3.829  -8.711   3.783
   59    HE1  TYR   7           HE1      TYR   7  -0.545  -8.703   0.053
   60    HE2  TYR   7           HE2      TYR   7  -2.675 -10.855   3.055
   61    HH   TYR   7           HH       TYR   7  -1.614 -11.620   0.712
   62    H    GLY   8           H        GLY   8  -5.685  -4.620   4.605
   63   1HA   GLY   8          1HA       GLY   8  -5.720  -6.506   6.762
   64   2HA   GLY   8          2HA       GLY   8  -6.148  -4.807   6.813
   65    H    LEU   9           H        LEU   9  -8.080  -5.139   4.471
   66    HA   LEU   9           HA       LEU   9 -10.308  -5.990   6.102
   67   1HB   LEU   9          2HB       LEU   9  -9.865  -4.296   3.741
   68   2HB   LEU   9          3HB       LEU   9 -11.332  -5.253   3.676
   69    HG   LEU   9           HG       LEU   9 -11.416  -4.202   6.235
   70   1HD1  LEU   9          1HD1      LEU   9 -11.134  -1.676   5.633
   71   2HD1  LEU   9          2HD1      LEU   9  -9.723  -2.641   6.130
   72   3HD1  LEU   9          3HD1      LEU   9 -10.000  -2.291   4.407
   73   1HD2  LEU   9          1HD2      LEU   9 -12.836  -3.931   3.717
   74   2HD2  LEU   9          2HD2      LEU   9 -13.454  -3.953   5.386
   75   3HD2  LEU   9          3HD2      LEU   9 -12.886  -2.427   4.668
   76    H    MET  10           H        MET  10  -8.184  -7.257   3.649
   77    HA   MET  10           HA       MET  10 -10.040  -9.084   2.566
   78   1HB   MET  10          2HB       MET  10  -7.085  -8.531   2.439
   79   2HB   MET  10          3HB       MET  10  -7.556 -10.170   2.039
   80   1HG   MET  10          2HG       MET  10  -9.432  -8.611   0.643
   81   2HG   MET  10          3HG       MET  10  -7.953  -7.682   0.496
   82   1HE   MET  10          1HE       MET  10  -9.253 -11.649  -0.821
   83   2HE   MET  10          2HE       MET  10 -10.110 -10.128  -0.472
   84   3HE   MET  10          3HE       MET  10  -9.448 -10.424  -2.098
  Start of MODEL   19
    1   1H    ALA   1          H         ALA   1  -1.699   5.742   4.313
    2    HA   ALA   1           HA       ALA   1  -3.120   5.423   2.191
    3   1HB   ALA   1          1HB       ALA   1  -1.551   3.619   1.430
    4   2HB   ALA   1          2HB       ALA   1  -0.729   4.984   2.225
    5   3HB   ALA   1          3HB       ALA   1  -0.983   3.460   3.110
    6    H    LYS   2           H        LYS   2  -5.018   4.495   1.626
    7    HA   LYS   2           HA       LYS   2  -6.016   2.327   3.248
    8   1HB   LYS   2          2HB       LYS   2  -7.228   4.475   2.179
    9   2HB   LYS   2          3HB       LYS   2  -7.511   3.337   0.876
   10   1HG   LYS   2          2HG       LYS   2  -9.194   2.405   2.069
   11   2HG   LYS   2          3HG       LYS   2  -8.040   1.906   3.290
   12   1HD   LYS   2          2HD       LYS   2  -8.244   4.397   4.152
   13   2HD   LYS   2          3HD       LYS   2  -9.718   4.433   3.205
   14   1HE   LYS   2          2HE       LYS   2 -10.737   3.523   5.029
   15   2HE   LYS   2          3HE       LYS   2  -9.971   2.016   4.568
   16   1HZ   LYS   2          1HZ       LYS   2  -9.271   3.812   6.731
   17   2HZ   LYS   2          2HZ       LYS   2  -9.044   2.203   6.620
   18    H    PHE   3           H        PHE   3  -3.869   2.548   0.709
   19    HA   PHE   3           HA       PHE   3  -4.874   0.495  -0.968
   20   1HB   PHE   3          2HB       PHE   3  -3.267   1.877  -2.013
   21   2HB   PHE   3          3HB       PHE   3  -2.393   2.146  -0.518
   22    HD1  PHE   3           HD1      PHE   3  -0.274   1.265  -0.393
   23    HD2  PHE   3           HD2      PHE   3  -3.139  -0.698  -2.830
   24    HE1  PHE   3           HE1      PHE   3   1.473  -0.385  -1.117
   25    HE2  PHE   3           HE2      PHE   3  -1.393  -2.349  -3.554
   26    HZ   PHE   3           HZ       PHE   3   0.893  -2.172  -2.689
   27    H    ASP   4           H        ASP   4  -2.628   0.648   1.840
   28    HA   ASP   4           HA       ASP   4  -1.983  -2.115   1.541
   29   1HB   ASP   4          2HB       ASP   4  -1.126   0.181   3.210
   30   2HB   ASP   4          3HB       ASP   4  -1.157  -1.332   4.094
   31    HD2  ASP   4           HD2      ASP   4  -0.407  -1.067   0.773
   32    H    LYS   5           H        LYS   5  -4.457  -0.149   2.982
   33    HA   LYS   5           HA       LYS   5  -5.026  -1.848   5.204
   34   1HB   LYS   5          2HB       LYS   5  -6.475   0.467   3.902
   35   2HB   LYS   5          3HB       LYS   5  -7.142  -0.419   5.258
   36   1HG   LYS   5          2HG       LYS   5  -4.341   0.780   5.339
   37   2HG   LYS   5          3HG       LYS   5  -5.758   1.701   5.805
   38   1HD   LYS   5          2HD       LYS   5  -6.326  -0.191   7.443
   39   2HD   LYS   5          3HD       LYS   5  -4.763  -0.891   7.074
   40   1HE   LYS   5          2HE       LYS   5  -4.845   2.022   7.862
   41   2HE   LYS   5          3HE       LYS   5  -5.096   0.828   9.121
   42   1HZ   LYS   5          1HZ       LYS   5  -2.884   0.123   7.454
   43   2HZ   LYS   5          2HZ       LYS   5  -2.664   1.598   8.109
   44    H    PHE   6           H        PHE   6  -5.610  -1.924   1.783
   45    HA   PHE   6           HA       PHE   6  -8.074  -3.183   1.695
   46   1HB   PHE   6          2HB       PHE   6  -7.261  -2.593  -0.427
   47   2HB   PHE   6          3HB       PHE   6  -5.593  -2.834   0.053
   48    HD1  PHE   6           HD1      PHE   6  -8.662  -4.656  -0.962
   49    HD2  PHE   6           HD2      PHE   6  -4.437  -4.778  -0.575
   50    HE1  PHE   6           HE1      PHE   6  -8.608  -6.818  -2.236
   51    HE2  PHE   6           HE2      PHE   6  -4.383  -6.940  -1.850
   52    HZ   PHE   6           HZ       PHE   6  -6.469  -7.933  -2.665
   53    H    TYR   7           H        TYR   7  -4.755  -4.505   2.175
   54    HA   TYR   7           HA       TYR   7  -5.563  -7.212   2.013
   55   1HB   TYR   7          2HB       TYR   7  -3.227  -5.721   2.031
   56   2HB   TYR   7          3HB       TYR   7  -3.235  -6.254   3.700
   57    HD1  TYR   7           HD1      TYR   7  -1.858  -8.068   4.090
   58    HD2  TYR   7           HD2      TYR   7  -3.979  -7.863   0.380
   59    HE1  TYR   7           HE1      TYR   7  -0.845 -10.290   3.380
   60    HE2  TYR   7           HE2      TYR   7  -2.959 -10.085  -0.318
   61    HH   TYR   7           HH       TYR   7  -0.887 -11.897   1.914
   62    H    GLY   8           H        GLY   8  -5.632  -4.754   4.551
   63   1HA   GLY   8          1HA       GLY   8  -5.739  -6.598   6.744
   64   2HA   GLY   8          2HA       GLY   8  -6.069  -4.877   6.770
   65    H    LEU   9           H        LEU   9  -8.054  -5.139   4.463
   66    HA   LEU   9           HA       LEU   9 -10.301  -5.834   6.143
   67   1HB   LEU   9          2HB       LEU   9 -11.159  -4.108   5.085
   68   2HB   LEU   9          3HB       LEU   9  -9.768  -4.010   4.024
   69    HG   LEU   9           HG       LEU   9 -10.939  -5.859   2.639
   70   1HD1  LEU   9          1HD1      LEU   9 -13.517  -4.795   3.671
   71   2HD1  LEU   9          2HD1      LEU   9 -13.120  -6.384   2.975
   72   3HD1  LEU   9          3HD1      LEU   9 -12.682  -6.015   4.661
   73   1HD2  LEU   9          1HD2      LEU   9 -10.714  -3.243   2.281
   74   2HD2  LEU   9          2HD2      LEU   9 -11.706  -4.257   1.206
   75   3HD2  LEU   9          3HD2      LEU   9 -12.479  -3.306   2.496
   76    H    MET  10           H        MET  10  -8.289  -7.262   3.681
   77    HA   MET  10           HA       MET  10 -10.334  -9.085   2.843
   78   1HB   MET  10          2HB       MET  10  -8.146  -8.061   1.595
   79   2HB   MET  10          3HB       MET  10  -7.389  -9.493   2.264
   80   1HG   MET  10          2HG       MET  10  -8.209 -10.640   0.479
   81   2HG   MET  10          3HG       MET  10  -9.798 -10.478   1.197
   82   1HE   MET  10          1HE       MET  10 -11.500  -9.603   0.424
   83   2HE   MET  10          2HE       MET  10 -11.426  -7.829   0.303
   84   3HE   MET  10          3HE       MET  10 -11.741  -8.807  -1.150
  Start of MODEL   20
    1   1H    ALA   1          H         ALA   1  -3.107   5.778   1.799
    2    HA   ALA   1           HA       ALA   1  -1.581   3.779   3.306
    3   1HB   ALA   1          1HB       ALA   1  -3.476   5.973   4.241
    4   2HB   ALA   1          2HB       ALA   1  -2.532   4.886   5.289
    5   3HB   ALA   1          3HB       ALA   1  -1.699   6.066   4.249
    6    H    LYS   2           H        LYS   2  -4.616   4.480   1.713
    7    HA   LYS   2           HA       LYS   2  -6.105   2.564   3.256
    8   1HB   LYS   2          2HB       LYS   2  -7.233   4.536   2.429
    9   2HB   LYS   2          3HB       LYS   2  -6.760   4.182   0.779
   10   1HG   LYS   2          2HG       LYS   2  -8.127   1.896   2.045
   11   2HG   LYS   2          3HG       LYS   2  -9.123   3.338   2.050
   12   1HD   LYS   2          2HD       LYS   2  -8.750   3.610  -0.408
   13   2HD   LYS   2          3HD       LYS   2  -7.742   2.176  -0.416
   14   1HE   LYS   2          2HE       LYS   2  -9.815   1.288  -1.074
   15   2HE   LYS   2          3HE       LYS   2  -9.840   0.981   0.651
   16   1HZ   LYS   2          1HZ       LYS   2 -11.828   2.064   0.442
   17   2HZ   LYS   2          2HZ       LYS   2 -10.920   3.405   0.613
   18    H    PHE   3           H        PHE   3  -3.993   2.614   0.462
   19    HA   PHE   3           HA       PHE   3  -5.041   0.353  -0.840
   20   1HB   PHE   3          2HB       PHE   3  -2.530   2.032  -0.746
   21   2HB   PHE   3          3HB       PHE   3  -2.338   0.437  -1.445
   22    HD1  PHE   3           HD1      PHE   3  -3.310   3.787  -2.062
   23    HD2  PHE   3           HD2      PHE   3  -3.983  -0.201  -3.346
   24    HE1  PHE   3           HE1      PHE   3  -4.187   4.640  -4.253
   25    HE2  PHE   3           HE2      PHE   3  -4.860   0.652  -5.536
   26    HZ   PHE   3           HZ       PHE   3  -4.952   3.063  -5.964
   27    H    ASP   4           H        ASP   4  -2.861   0.815   1.933
   28    HA   ASP   4           HA       ASP   4  -1.961  -1.891   1.814
   29   1HB   ASP   4          2HB       ASP   4  -1.659   0.298   3.922
   30   2HB   ASP   4          3HB       ASP   4  -0.901  -1.276   4.049
   31    HD2  ASP   4           HD2      ASP   4   0.570   1.318   1.359
   32    H    LYS   5           H        LYS   5  -4.603  -0.014   3.147
   33    HA   LYS   5           HA       LYS   5  -5.146  -1.732   5.361
   34   1HB   LYS   5          2HB       LYS   5  -6.112   0.787   4.290
   35   2HB   LYS   5          3HB       LYS   5  -7.454  -0.255   4.722
   36   1HG   LYS   5          2HG       LYS   5  -6.970  -0.184   6.971
   37   2HG   LYS   5          3HG       LYS   5  -5.238  -0.234   6.710
   38   1HD   LYS   5          2HD       LYS   5  -5.326   1.963   7.367
   39   2HD   LYS   5          3HD       LYS   5  -5.767   2.246   5.694
   40   1HE   LYS   5          2HE       LYS   5  -7.573   3.308   6.661
   41   2HE   LYS   5          3HE       LYS   5  -8.239   1.687   6.662
   42   1HZ   LYS   5          1HZ       LYS   5  -8.451   2.549   8.864
   43   2HZ   LYS   5          2HZ       LYS   5  -7.254   1.450   8.954
   44    H    PHE   6           H        PHE   6  -5.771  -1.736   1.914
   45    HA   PHE   6           HA       PHE   6  -8.133  -3.148   1.807
   46   1HB   PHE   6          2HB       PHE   6  -7.367  -2.503  -0.312
   47   2HB   PHE   6          3HB       PHE   6  -5.686  -2.619   0.171
   48    HD1  PHE   6           HD1      PHE   6  -4.382  -4.350  -0.656
   49    HD2  PHE   6           HD2      PHE   6  -8.604  -4.776  -0.684
   50    HE1  PHE   6           HE1      PHE   6  -4.158  -6.488  -1.951
   51    HE2  PHE   6           HE2      PHE   6  -8.380  -6.915  -1.979
   52    HZ   PHE   6           HZ       PHE   6  -6.159  -7.745  -2.597
   53    H    TYR   7           H        TYR   7  -4.748  -4.304   2.264
   54    HA   TYR   7           HA       TYR   7  -5.330  -7.035   2.002
   55   1HB   TYR   7          2HB       TYR   7  -3.131  -5.395   2.258
   56   2HB   TYR   7          3HB       TYR   7  -3.247  -5.934   3.921
   57    HD1  TYR   7           HD1      TYR   7  -2.456  -8.074   4.574
   58    HD2  TYR   7           HD2      TYR   7  -2.875  -7.144   0.419
   59    HE1  TYR   7           HE1      TYR   7  -1.210 -10.205   3.965
   60    HE2  TYR   7           HE2      TYR   7  -1.628  -9.277  -0.177
   61    HH   TYR   7           HH       TYR   7  -0.133 -10.803   0.744
   62    H    GLY   8           H        GLY   8  -5.652  -4.725   4.697
   63   1HA   GLY   8          1HA       GLY   8  -5.931  -6.753   6.713
   64   2HA   GLY   8          2HA       GLY   8  -6.214  -5.032   6.874
   65    H    LEU   9           H        LEU   9  -8.026  -5.118   4.370
   66    HA   LEU   9           HA       LEU   9 -10.432  -5.601   5.825
   67   1HB   LEU   9          2HB       LEU   9  -9.593  -4.286   3.374
   68   2HB   LEU   9          3HB       LEU   9 -11.063  -5.212   3.140
   69    HG   LEU   9           HG       LEU   9 -11.708  -3.936   5.436
   70   1HD1  LEU   9          1HD1      LEU   9  -9.333  -2.728   4.940
   71   2HD1  LEU   9          2HD1      LEU   9 -10.444  -1.630   4.087
   72   3HD1  LEU   9          3HD1      LEU   9 -10.684  -1.970   5.817
   73   1HD2  LEU   9          1HD2      LEU   9 -12.986  -2.366   4.051
   74   2HD2  LEU   9          2HD2      LEU   9 -12.013  -2.824   2.633
   75   3HD2  LEU   9          3HD2      LEU   9 -13.067  -4.026   3.416
   76    H    MET  10           H        MET  10  -8.393  -7.363   3.524
   77    HA   MET  10           HA       MET  10 -10.476  -9.311   3.114
   78   1HB   MET  10          2HB       MET  10  -8.886 -10.283   1.497
   79   2HB   MET  10          3HB       MET  10  -8.921  -8.547   1.258
   80   1HG   MET  10          2HG       MET  10  -6.829  -8.244   2.458
   81   2HG   MET  10          3HG       MET  10  -6.856  -9.892   3.057
   82   1HE   MET  10          1HE       MET  10  -5.690 -11.410   2.424
   83   2HE   MET  10          2HE       MET  10  -6.175 -12.183   0.896
   84   3HE   MET  10          3HE       MET  10  -4.555 -11.462   1.053