*HEADER    NEUROPEPTIDE                            24-APR-14   2MOC              
*TITLE     MEMBRANE INDUCED STRUCTURE OF NOVEL HUMAN TACHYKININ HEMOKININ-1      
*TITLE    2 (HHK1)                                                               
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: TACHYKININ-4;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: ENDOKININ-A/B;                                              
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606;                                                
*SOURCE   6 OTHER_DETAILS: CUSTOM SYNTHESIZED PEPTIDE WITH >99% PURITY           
*KEYWDS    TACHYKININ, NEUROPEPTIDE                                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.GANJIWALE, S.COWSIK                                                 
*REVDAT   1   27-MAY-15 2MOC    0                                                


 1 THR  H        1  THR  QB     3.50
 1 THR  HA       1  THR  QB     3.50
 
 2 GLY  H        1  THR  HA     3.50
 2 GLY  H        1  THR  H      2.80
 
 3 LYS   H       3 LYS  QB      3.50
 3 LYS   H       3 LYS  QD      5.00
 3 LYS   H       3 LYS  QG      4.50
 3 LYS   HA      3 LYS  QB      3.50
 3 LYS   H       2 GLY  H       2.80
 3 LYS   H       2 GLY  HA      3.50
 
 4 ALA  H        3 LYS  H       2.80
 4 ALA  H        3 LYS  HA      3.50
 4 ALA  H        4 ALA  HA      3.00
 4 ALA  H        4 ALA  HB      3.50
 4 ALA  HA       4 ALA  HB      3.50

 5 SER  H        5  SER  HA     3.00
 5 SER  H        5  SER  HB2    3.50
 5 SER  H        5  SER  HB3    3.80
 5 SER  HA       5  SER  HB2    3.20
 5 SER  HA       5  SER  HB3    3.20
 5 SER  H        4  ALA  HA     3.50
 5 SER  H        3  LYS  HA     4.00
 5 SER  H        4  ALA  HA     2.80


 6 GLN  HA       6  GLN   HB2    2.70
 6 GLN  HA       6  GLN   HB3    2.70
 6 GLN  H        6  GLN   HA     3.00
 6 GLN  H        6  GLN   HA     3.00
 6 GLN  H        5  SER   H      2.80
 6 GLN  H        5  SER   HA     3.50
 6 GLN  H        4  ALA   HA     4.00
 6 GLN  H        3  LYS   HA     4.50

 7 PHE  H        7  PHE  QB     3.50
 7 PHE  HA       7  PHE  QB     3.50
 7 PHE  H        7  PHE  QR     5.00
 7 PHE  H        6  GLN  H      2.80
 7 PHE  H        6  GLN  HA     3.50
 7 PHE  H        5  SER  HA     4.00
 7 PHE  H        4  ALA  HA      4.50

 8 PHE  H        8  PHE  QB     3.50
 8 PHE  HA       8  PHE  QB     3.50
 8 PHE  H        8  PHE  QR     5.00
 8 PHE  H        7  PHE  H      2.80
 8 PHE  H        7  PHE  HA     3.50
 8 PHE  H        6  GLN  HA     4.00
 8 PHE  H        5  SER  HA     4.50

 9 GLY  H      8  PHE  H   2.80
 9 GLY  H      9  GLY  HA   3.00
 9 GLY  H      8  PHE  HA   3.50
 9 GLY  H      7  PHE  HA   4.00


10 LEU  H      9 GLY  H   2.80
10 LEU  H       10 LEU  HA     2.80
10 LEU  H       10 LEU  QB     3.80
10 LEU  H       10 LEU  QQD    5.00
10 LEU  HA      10 LEU  QB     3.50
10 LEU  H        9 GLY  HA     3.50
10 LEU  H        8 PHE  HA    4.00 
10 LEU  H        7 PHE HA     4.50
10 LEU  H        6 GLN HA     5.00

11 MET  H     11 MET HA 3.00
11 MET  H     11 MET    QG    4.50
11 MET  H   11 MET    HG2 5.00
11 MET  H     11 MET    QB    3.50
11 MET  H     11 MET    HB2   4.00
11 MET  HA    11 MET    QB    3.50
11 MET  HA    11 MET    HB2   4.00
11 MET  H     10 LEU    H 2.80
11 MET  H     10 LEU    HA 3.50
11 MET  H      9 GLY    HA 4.00
11 MET  H      8 PHE    HA 4.50
11 MET  H      7 PHE    HA 5.00








 6 GLN
         H      9 GLY  O       2.10
         N      9 GLY  O       3.20
7 PHE
         H      10 LEU  O       2.10
         N      10 LEU  O       3.20
8 PHE
         H      11 MET  O       2.10
         N      11 MET  O       3.20

2 GLY   PHI   -110.0   -70.0
3 LYS   PHI    -85.0   -65.0
4 ALA   PHI    -85.0   -65.0
5 SER   PHI    -85.0   -65.0
6 GLN   PHI    -85.0   -65.0
7 PHE   PHI    -85.0   -65.0
8 PHE   PHI    -75.0   -55.0
9 GLY   PHI    -75.0   -55.0
10 LEU  PHI    -75.0   -55.0
11 MET  PHI    -85.0   -65.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   THR   1           H        THR   1  -6.470   2.617   7.458
    2    HA   THR   1           HA       THR   1  -6.807   2.198   4.585
    3    HB   THR   1           HB       THR   1  -4.745   4.201   5.197
    4    HG1  THR   1           HG1      THR   1  -6.391   5.883   5.327
    5   HG21  THR   1          3HG2      THR   1  -5.652   3.345   2.930
    6   HG22  THR   1          1HG2      THR   1  -5.350   5.071   3.120
    7   HG23  THR   1          2HG2      THR   1  -6.996   4.446   3.229
    8    H    GLY   2           H        GLY   2  -5.835   0.551   6.793
    9    HA2  GLY   2           1HA      GLY   2  -2.966   0.458   6.612
   10    HA3  GLY   2           2HA      GLY   2  -3.999  -0.708   7.424
   11    H    LYS   3           H        LYS   3  -5.634  -1.174   5.037
   12    HA   LYS   3           HA       LYS   3  -4.095  -3.285   3.912
   13    HB2  LYS   3           1HB      LYS   3  -6.741  -2.858   4.169
   14    HB3  LYS   3           2HB      LYS   3  -6.531  -2.360   2.495
   15    HG2  LYS   3           1HG      LYS   3  -6.473  -4.467   1.826
   16    HG3  LYS   3           2HG      LYS   3  -5.155  -4.830   2.942
   17    HD2  LYS   3           1HD      LYS   3  -6.710  -5.294   4.715
   18    HD3  LYS   3           2HD      LYS   3  -8.067  -4.748   3.726
   19    HE2  LYS   3           1HE      LYS   3  -7.744  -6.589   2.198
   20    HE3  LYS   3           2HE      LYS   3  -6.291  -7.094   3.060
   21    HZ1  LYS   3           3HZ      LYS   3  -7.512  -8.238   4.494
   22    HZ2  LYS   3           1HZ      LYS   3  -8.867  -7.940   3.526
   23    HZ3  LYS   3           2HZ      LYS   3  -8.511  -6.913   4.822
   24    H    ALA   4           H        ALA   4  -4.511   0.025   3.119
   25    HA   ALA   4           HA       ALA   4  -3.693  -0.299   0.351
   26    HB1  ALA   4           3HB      ALA   4  -4.336   2.131   2.008
   27    HB2  ALA   4           1HB      ALA   4  -3.802   2.205   0.329
   28    HB3  ALA   4           2HB      ALA   4  -5.316   1.398   0.738
   29    H    SER   5           H        SER   5  -1.922  -1.045   2.645
   30    HA   SER   5           HA       SER   5   0.230   0.893   2.527
   31    HB2  SER   5           1HB      SER   5  -0.051  -0.117   4.660
   32    HB3  SER   5           2HB      SER   5  -0.119  -1.737   3.967
   33    HG   SER   5           HG       SER   5   1.919  -1.592   4.681
   34    H    GLN   6           H        GLN   6  -0.455  -2.365   1.354
   35    HA   GLN   6           HA       GLN   6   2.100  -2.882   0.272
   36    HB2  GLN   6           1HB      GLN   6   0.962  -4.649  -1.028
   37    HB3  GLN   6           2HB      GLN   6   0.531  -4.684   0.677
   38    HG2  GLN   6           1HG      GLN   6  -1.617  -4.467   0.202
   39    HG3  GLN   6           2HG      GLN   6  -1.310  -3.030  -0.772
   40   HE21  GLN   6          2HE2      GLN   6  -1.274  -6.555  -0.855
   41   HE22  GLN   6          1HE2      GLN   6  -1.633  -6.699  -2.538
   42    H    PHE   7           H        PHE   7  -0.600  -1.032  -0.853
   43    HA   PHE   7           HA       PHE   7  -0.018  -1.023  -3.614
   44    HB2  PHE   7           1HB      PHE   7  -1.848   0.310  -1.828
   45    HB3  PHE   7           2HB      PHE   7  -1.175   1.463  -2.976
   46    HD1  PHE   7           HD2      PHE   7  -2.299  -2.094  -3.164
   47    HD2  PHE   7           HD1      PHE   7  -2.569   1.849  -4.745
   48    HE1  PHE   7           HE2      PHE   7  -3.869  -2.894  -4.882
   49    HE2  PHE   7           HE1      PHE   7  -4.140   1.056  -6.464
   50    HZ   PHE   7           HZ       PHE   7  -4.791  -1.318  -6.535
   51    H    PHE   8           H        PHE   8   1.210   0.834  -0.916
   52    HA   PHE   8           HA       PHE   8   2.472   2.874  -2.422
   53    HB2  PHE   8           1HB      PHE   8   2.578   1.903   0.382
   54    HB3  PHE   8           2HB      PHE   8   3.959   2.837  -0.184
   55    HD1  PHE   8           HD2      PHE   8   3.370   5.082  -1.392
   56    HD2  PHE   8           HD1      PHE   8   0.759   3.007   1.253
   57    HE1  PHE   8           HE2      PHE   8   2.124   7.165  -0.992
   58    HE2  PHE   8           HE1      PHE   8  -0.491   5.087   1.657
   59    HZ   PHE   8           HZ       PHE   8   0.191   7.170   0.534
   60    H    GLY   9           H        GLY   9   3.367  -0.378  -1.567
   61    HA2  GLY   9           1HA      GLY   9   6.163  -0.082  -2.122
   62    HA3  GLY   9           2HA      GLY   9   5.295  -1.597  -1.920
   63    H    LEU  10           H        LEU  10   3.350  -0.686  -4.047
   64    HA   LEU  10           HA       LEU  10   4.646  -1.947  -6.236
   65    HB2  LEU  10           1HB      LEU  10   2.106  -1.713  -5.590
   66    HB3  LEU  10           2HB      LEU  10   2.204  -0.282  -6.613
   67    HG   LEU  10           HG       LEU  10   3.303  -2.143  -8.246
   68   HD11  LEU  10          1HD1      LEU  10   2.503  -4.239  -7.968
   69   HD12  LEU  10          2HD1      LEU  10   1.008  -3.689  -7.213
   70   HD13  LEU  10          3HD1      LEU  10   2.497  -3.756  -6.272
   71   HD21  LEU  10          3HD2      LEU  10   0.344  -2.008  -8.235
   72   HD22  LEU  10          1HD2      LEU  10   1.489  -1.750  -9.552
   73   HD23  LEU  10          2HD2      LEU  10   1.223  -0.483  -8.355
   74    H    MET  11           H        MET  11   3.986   1.401  -5.386
   75    HA   MET  11           HA       MET  11   4.781   2.492  -7.897
   76    HB2  MET  11           1HB      MET  11   3.510   3.469  -5.657
   77    HB3  MET  11           2HB      MET  11   5.082   4.253  -5.577
   78    HG2  MET  11           1HG      MET  11   4.759   5.407  -7.543
   79    HG3  MET  11           2HG      MET  11   3.555   4.266  -8.137
   80    HE1  MET  11           3HE      MET  11   2.891   7.746  -5.226
   81    HE2  MET  11           1HE      MET  11   3.820   6.354  -4.669
   82    HE3  MET  11           2HE      MET  11   4.392   7.303  -6.041
  Start of MODEL    2
    1    H1   THR   1           H        THR   1  -7.036   2.545   7.234
    2    HA   THR   1           HA       THR   1  -5.937   2.954   4.529
    3    HB   THR   1           HB       THR   1  -4.799   4.356   6.919
    4    HG1  THR   1           HG1      THR   1  -6.915   5.002   7.043
    5   HG21  THR   1          3HG2      THR   1  -4.861   4.780   3.948
    6   HG22  THR   1          1HG2      THR   1  -3.468   4.655   5.022
    7   HG23  THR   1          2HG2      THR   1  -4.472   6.105   5.047
    8    H    GLY   2           H        GLY   2  -5.917   0.499   6.136
    9    HA2  GLY   2           1HA      GLY   2  -3.036   0.269   6.723
   10    HA3  GLY   2           2HA      GLY   2  -4.284  -0.775   7.387
   11    H    LYS   3           H        LYS   3  -5.688  -1.222   4.938
   12    HA   LYS   3           HA       LYS   3  -4.091  -3.357   3.899
   13    HB2  LYS   3           1HB      LYS   3  -6.842  -2.631   3.907
   14    HB3  LYS   3           2HB      LYS   3  -6.354  -2.844   2.232
   15    HG2  LYS   3           1HG      LYS   3  -6.996  -4.969   2.754
   16    HG3  LYS   3           2HG      LYS   3  -5.279  -5.051   3.153
   17    HD2  LYS   3           1HD      LYS   3  -5.683  -4.962   5.444
   18    HD3  LYS   3           2HD      LYS   3  -7.296  -4.279   5.230
   19    HE2  LYS   3           1HE      LYS   3  -6.938  -6.908   3.997
   20    HE3  LYS   3           2HE      LYS   3  -6.741  -6.907   5.749
   21    HZ1  LYS   3           3HZ      LYS   3  -8.995  -5.365   5.032
   22    HZ2  LYS   3           1HZ      LYS   3  -8.922  -6.754   5.995
   23    HZ3  LYS   3           2HZ      LYS   3  -9.114  -6.896   4.320
   24    H    ALA   4           H        ALA   4  -4.583  -0.070   3.057
   25    HA   ALA   4           HA       ALA   4  -3.731  -0.410   0.301
   26    HB1  ALA   4           3HB      ALA   4  -4.144   2.185   1.766
   27    HB2  ALA   4           1HB      ALA   4  -4.148   1.906   0.024
   28    HB3  ALA   4           2HB      ALA   4  -5.458   1.274   1.023
   29    H    SER   5           H        SER   5  -1.964  -1.081   2.621
   30    HA   SER   5           HA       SER   5   0.141   0.908   2.496
   31    HB2  SER   5           1HB      SER   5  -0.214  -1.679   3.996
   32    HB3  SER   5           2HB      SER   5   1.343  -0.853   3.956
   33    HG   SER   5           HG       SER   5  -0.907  -0.249   5.366
   34    H    GLN   6           H        GLN   6  -0.453  -2.381   1.360
   35    HA   GLN   6           HA       GLN   6   2.124  -2.850   0.311
   36    HB2  GLN   6           1HB      GLN   6   1.078  -4.681  -0.936
   37    HB3  GLN   6           2HB      GLN   6   0.536  -4.661   0.737
   38    HG2  GLN   6           1HG      GLN   6  -1.487  -4.914  -0.189
   39    HG3  GLN   6           2HG      GLN   6  -1.390  -3.166  -0.397
   40   HE21  GLN   6          2HE2      GLN   6  -1.274  -6.252  -1.958
   41   HE22  GLN   6          1HE2      GLN   6  -1.333  -5.668  -3.582
   42    H    PHE   7           H        PHE   7  -0.605  -1.076  -0.866
   43    HA   PHE   7           HA       PHE   7   0.007  -1.087  -3.619
   44    HB2  PHE   7           1HB      PHE   7  -1.787   0.383  -1.827
   45    HB3  PHE   7           2HB      PHE   7  -1.232   1.334  -3.201
   46    HD1  PHE   7           HD1      PHE   7  -1.286  -0.077  -5.498
   47    HD2  PHE   7           HD2      PHE   7  -3.755  -0.746  -2.097
   48    HE1  PHE   7           HE1      PHE   7  -2.957  -1.173  -6.932
   49    HE2  PHE   7           HE2      PHE   7  -5.430  -1.844  -3.526
   50    HZ   PHE   7           HZ       PHE   7  -5.033  -2.059  -5.946
   51    H    PHE   8           H        PHE   8   1.163   0.829  -0.931
   52    HA   PHE   8           HA       PHE   8   2.395   2.879  -2.448
   53    HB2  PHE   8           1HB      PHE   8   1.858   2.670   0.139
   54    HB3  PHE   8           2HB      PHE   8   3.510   2.063   0.199
   55    HD1  PHE   8           HD1      PHE   8   1.510   4.927  -1.086
   56    HD2  PHE   8           HD2      PHE   8   5.265   3.553   0.372
   57    HE1  PHE   8           HE1      PHE   8   2.351   7.239  -1.084
   58    HE2  PHE   8           HE2      PHE   8   6.112   5.863   0.378
   59    HZ   PHE   8           HZ       PHE   8   4.655   7.709  -0.351
   60    H    GLY   9           H        GLY   9   3.353  -0.341  -1.544
   61    HA2  GLY   9           1HA      GLY   9   6.149   0.013  -2.072
   62    HA3  GLY   9           2HA      GLY   9   5.313  -1.519  -1.861
   63    H    LEU  10           H        LEU  10   3.372  -0.678  -4.020
   64    HA   LEU  10           HA       LEU  10   4.721  -1.933  -6.180
   65    HB2  LEU  10           1HB      LEU  10   2.055  -1.109  -5.537
   66    HB3  LEU  10           2HB      LEU  10   2.457  -0.581  -7.169
   67    HG   LEU  10           HG       LEU  10   3.045  -2.924  -7.733
   68   HD11  LEU  10          1HD1      LEU  10   3.331  -3.396  -5.146
   69   HD12  LEU  10          2HD1      LEU  10   2.875  -4.667  -6.280
   70   HD13  LEU  10          3HD1      LEU  10   1.641  -3.877  -5.298
   71   HD21  LEU  10          3HD2      LEU  10   0.866  -3.545  -8.180
   72   HD22  LEU  10          1HD2      LEU  10   0.708  -1.805  -7.937
   73   HD23  LEU  10          2HD2      LEU  10   0.261  -2.919  -6.646
   74    H    MET  11           H        MET  11   3.975   1.408  -5.377
   75    HA   MET  11           HA       MET  11   4.709   2.522  -7.878
   76    HB2  MET  11           1HB      MET  11   3.839   3.476  -5.303
   77    HB3  MET  11           2HB      MET  11   5.187   4.448  -5.880
   78    HG2  MET  11           1HG      MET  11   3.992   4.877  -7.963
   79    HG3  MET  11           2HG      MET  11   2.645   3.896  -7.392
   80    HE1  MET  11           3HE      MET  11   0.551   6.149  -5.350
   81    HE2  MET  11           1HE      MET  11   0.658   4.871  -6.560
   82    HE3  MET  11           2HE      MET  11   1.332   4.619  -4.950
  Start of MODEL    3
    1    H1   THR   1           H        THR   1  -5.963   3.270   6.251
    2    HA   THR   1           HA       THR   1  -3.909   3.105   4.155
    3    HB   THR   1           HB       THR   1  -3.075   4.009   6.872
    4    HG1  THR   1           HG1      THR   1  -4.852   5.392   6.163
    5   HG21  THR   1          3HG2      THR   1  -2.116   4.571   4.065
    6   HG22  THR   1          1HG2      THR   1  -1.369   3.485   5.235
    7   HG23  THR   1          2HG2      THR   1  -1.384   5.224   5.531
    8    H    GLY   2           H        GLY   2  -5.574   1.084   5.514
    9    HA2  GLY   2           1HA      GLY   2  -3.610  -0.339   7.160
   10    HA3  GLY   2           2HA      GLY   2  -5.309  -0.753   6.991
   11    H    LYS   3           H        LYS   3  -5.935  -1.421   4.690
   12    HA   LYS   3           HA       LYS   3  -4.145  -3.558   3.919
   13    HB2  LYS   3           1HB      LYS   3  -6.877  -2.746   2.915
   14    HB3  LYS   3           2HB      LYS   3  -5.989  -4.146   2.328
   15    HG2  LYS   3           1HG      LYS   3  -5.926  -4.860   4.807
   16    HG3  LYS   3           2HG      LYS   3  -7.232  -3.689   5.009
   17    HD2  LYS   3           1HD      LYS   3  -8.532  -4.848   3.287
   18    HD3  LYS   3           2HD      LYS   3  -7.226  -6.018   3.087
   19    HE2  LYS   3           1HE      LYS   3  -7.540  -6.861   5.290
   20    HE3  LYS   3           2HE      LYS   3  -8.629  -5.539   5.708
   21    HZ1  LYS   3           3HZ      LYS   3 -10.348  -6.463   4.550
   22    HZ2  LYS   3           1HZ      LYS   3  -9.553  -7.873   5.046
   23    HZ3  LYS   3           2HZ      LYS   3  -9.345  -7.294   3.470
   24    H    ALA   4           H        ALA   4  -4.874  -0.371   2.882
   25    HA   ALA   4           HA       ALA   4  -3.872  -0.772   0.187
   26    HB1  ALA   4           3HB      ALA   4  -5.718   0.924   1.143
   27    HB2  ALA   4           1HB      ALA   4  -4.297   1.969   1.194
   28    HB3  ALA   4           2HB      ALA   4  -4.792   1.225  -0.328
   29    H    SER   5           H        SER   5  -2.161  -1.170   2.609
   30    HA   SER   5           HA       SER   5  -0.229   0.986   2.465
   31    HB2  SER   5           1HB      SER   5  -0.567   0.047   4.643
   32    HB3  SER   5           2HB      SER   5  -0.313  -1.591   4.042
   33    HG   SER   5           HG       SER   5   1.830  -1.186   3.818
   34    H    GLN   6           H        GLN   6  -0.489  -2.395   1.484
   35    HA   GLN   6           HA       GLN   6   2.167  -2.679   0.560
   36    HB2  GLN   6           1HB      GLN   6   1.425  -4.704  -0.485
   37    HB3  GLN   6           2HB      GLN   6   0.596  -4.561   1.058
   38    HG2  GLN   6           1HG      GLN   6  -1.234  -3.402  -0.474
   39    HG3  GLN   6           2HG      GLN   6  -0.475  -4.419  -1.696
   40   HE21  GLN   6          2HE2      GLN   6  -0.054  -6.732  -0.821
   41   HE22  GLN   6          1HE2      GLN   6  -1.404  -7.472  -0.040
   42    H    PHE   7           H        PHE   7  -0.669  -1.244  -0.813
   43    HA   PHE   7           HA       PHE   7   0.051  -1.352  -3.539
   44    HB2  PHE   7           1HB      PHE   7  -1.959   0.003  -1.905
   45    HB3  PHE   7           2HB      PHE   7  -1.423   0.973  -3.272
   46    HD1  PHE   7           HD2      PHE   7  -1.197  -0.513  -5.525
   47    HD2  PHE   7           HD1      PHE   7  -3.808  -1.289  -2.255
   48    HE1  PHE   7           HE2      PHE   7  -2.675  -1.797  -7.014
   49    HE2  PHE   7           HE1      PHE   7  -5.290  -2.576  -3.739
   50    HZ   PHE   7           HZ       PHE   7  -4.725  -2.830  -6.122
   51    H    PHE   8           H        PHE   8   0.914   0.816  -0.934
   52    HA   PHE   8           HA       PHE   8   2.009   2.885  -2.528
   53    HB2  PHE   8           1HB      PHE   8   1.645   2.370   0.237
   54    HB3  PHE   8           2HB      PHE   8   3.354   2.720  -0.004
   55    HD1  PHE   8           HD2      PHE   8   3.806   4.811  -1.577
   56    HD2  PHE   8           HD1      PHE   8   0.234   4.129   0.636
   57    HE1  PHE   8           HE2      PHE   8   3.301   7.219  -1.654
   58    HE2  PHE   8           HE1      PHE   8  -0.276   6.535   0.561
   59    HZ   PHE   8           HZ       PHE   8   1.258   8.083  -0.583
   60    H    GLY   9           H        GLY   9   3.228  -0.172  -1.400
   61    HA2  GLY   9           1HA      GLY   9   5.996   0.416  -1.853
   62    HA3  GLY   9           2HA      GLY   9   5.300  -1.174  -1.578
   63    H    LEU  10           H        LEU  10   3.374  -0.647  -3.849
   64    HA   LEU  10           HA       LEU  10   4.919  -1.889  -5.882
   65    HB2  LEU  10           1HB      LEU  10   2.145  -1.150  -5.440
   66    HB3  LEU  10           2HB      LEU  10   2.639  -0.924  -7.116
   67    HG   LEU  10           HG       LEU  10   3.581  -3.414  -6.669
   68   HD11  LEU  10          1HD1      LEU  10   1.388  -4.435  -5.554
   69   HD12  LEU  10          2HD1      LEU  10   1.452  -2.905  -4.678
   70   HD13  LEU  10          3HD1      LEU  10   2.823  -4.012  -4.619
   71   HD21  LEU  10          3HD2      LEU  10   2.342  -3.216  -8.566
   72   HD22  LEU  10          1HD2      LEU  10   1.057  -2.311  -7.768
   73   HD23  LEU  10          2HD2      LEU  10   1.164  -4.059  -7.559
   74    H    MET  11           H        MET  11   3.833   1.407  -5.309
   75    HA   MET  11           HA       MET  11   4.709   2.380  -7.862
   76    HB2  MET  11           1HB      MET  11   3.446   3.501  -5.449
   77    HB3  MET  11           2HB      MET  11   4.506   4.610  -6.306
   78    HG2  MET  11           1HG      MET  11   3.160   4.712  -8.135
   79    HG3  MET  11           2HG      MET  11   2.535   3.080  -7.903
   80    HE1  MET  11           3HE      MET  11  -0.340   3.155  -7.406
   81    HE2  MET  11           1HE      MET  11   0.913   2.342  -6.468
   82    HE3  MET  11           2HE      MET  11  -0.334   3.278  -5.646
  Start of MODEL    4
    1    H1   THR   1           H        THR   1  -7.613   1.530   6.098
    2    HA   THR   1           HA       THR   1  -5.743   3.458   4.915
    3    HB   THR   1           HB       THR   1  -5.433   3.369   7.734
    4    HG1  THR   1           HG1      THR   1  -7.390   2.764   8.302
    5   HG21  THR   1          3HG2      THR   1  -7.022   5.481   6.336
    6   HG22  THR   1          1HG2      THR   1  -5.319   5.268   5.936
    7   HG23  THR   1          2HG2      THR   1  -5.794   5.648   7.591
    8    H    GLY   2           H        GLY   2  -5.910   0.410   6.622
    9    HA2  GLY   2           1HA      GLY   2  -2.984   0.290   6.801
   10    HA3  GLY   2           2HA      GLY   2  -4.110  -0.804   7.591
   11    H    LYS   3           H        LYS   3  -5.594  -0.912   4.912
   12    HA   LYS   3           HA       LYS   3  -4.131  -3.201   3.912
   13    HB2  LYS   3           1HB      LYS   3  -6.740  -2.007   2.959
   14    HB3  LYS   3           2HB      LYS   3  -6.087  -3.572   2.493
   15    HG2  LYS   3           1HG      LYS   3  -6.660  -2.917   5.359
   16    HG3  LYS   3           2HG      LYS   3  -7.923  -3.502   4.273
   17    HD2  LYS   3           1HD      LYS   3  -5.499  -5.092   4.102
   18    HD3  LYS   3           2HD      LYS   3  -6.159  -5.056   5.738
   19    HE2  LYS   3           1HE      LYS   3  -7.027  -6.921   4.337
   20    HE3  LYS   3           2HE      LYS   3  -8.282  -5.853   4.965
   21    HZ1  LYS   3           3HZ      LYS   3  -7.160  -5.347   2.296
   22    HZ2  LYS   3           1HZ      LYS   3  -8.695  -4.977   2.901
   23    HZ3  LYS   3           2HZ      LYS   3  -8.311  -6.571   2.489
   24    H    ALA   4           H        ALA   4  -4.499   0.117   3.133
   25    HA   ALA   4           HA       ALA   4  -3.683  -0.208   0.364
   26    HB1  ALA   4           3HB      ALA   4  -5.333   1.543   1.205
   27    HB2  ALA   4           1HB      ALA   4  -3.925   2.400   1.833
   28    HB3  ALA   4           2HB      ALA   4  -4.070   2.092   0.102
   29    H    SER   5           H        SER   5  -1.924  -0.988   2.657
   30    HA   SER   5           HA       SER   5   0.255   0.919   2.548
   31    HB2  SER   5           1HB      SER   5  -0.499  -0.588   4.567
   32    HB3  SER   5           2HB      SER   5   0.514  -1.800   3.782
   33    HG   SER   5           HG       SER   5   2.071  -0.824   4.802
   34    H    GLN   6           H        GLN   6  -0.476  -2.324   1.361
   35    HA   GLN   6           HA       GLN   6   2.075  -2.867   0.276
   36    HB2  GLN   6           1HB      GLN   6   0.864  -4.590  -1.073
   37    HB3  GLN   6           2HB      GLN   6   0.559  -4.683   0.656
   38    HG2  GLN   6           1HG      GLN   6  -1.620  -4.185   0.436
   39    HG3  GLN   6           2HG      GLN   6  -1.337  -3.038  -0.872
   40   HE21  GLN   6          2HE2      GLN   6  -0.389  -4.265  -2.895
   41   HE22  GLN   6          1HE2      GLN   6  -1.325  -5.631  -3.388
   42    H    PHE   7           H        PHE   7  -0.611  -0.991  -0.840
   43    HA   PHE   7           HA       PHE   7  -0.036  -0.986  -3.602
   44    HB2  PHE   7           1HB      PHE   7  -1.816   0.419  -1.791
   45    HB3  PHE   7           2HB      PHE   7  -1.175   1.498  -3.026
   46    HD1  PHE   7           HD2      PHE   7  -2.159  -2.096  -3.127
   47    HD2  PHE   7           HD1      PHE   7  -2.807   1.842  -4.608
   48    HE1  PHE   7           HE2      PHE   7  -3.797  -2.975  -4.739
   49    HE2  PHE   7           HE1      PHE   7  -4.447   0.969  -6.221
   50    HZ   PHE   7           HZ       PHE   7  -4.943  -1.441  -6.289
   51    H    PHE   8           H        PHE   8   1.216   0.857  -0.906
   52    HA   PHE   8           HA       PHE   8   2.494   2.887  -2.414
   53    HB2  PHE   8           1HB      PHE   8   1.978   2.703   0.162
   54    HB3  PHE   8           2HB      PHE   8   3.581   1.979   0.221
   55    HD1  PHE   8           HD2      PHE   8   5.543   3.299  -0.605
   56    HD2  PHE   8           HD1      PHE   8   1.694   5.024  -0.033
   57    HE1  PHE   8           HE2      PHE   8   6.556   5.541  -0.581
   58    HE2  PHE   8           HE1      PHE   8   2.700   7.269  -0.010
   59    HZ   PHE   8           HZ       PHE   8   5.134   7.530  -0.283
   60    H    GLY   9           H        GLY   9   3.360  -0.374  -1.564
   61    HA2  GLY   9           1HA      GLY   9   6.157  -0.103  -2.125
   62    HA3  GLY   9           2HA      GLY   9   5.276  -1.610  -1.923
   63    H    LEU  10           H        LEU  10   3.334  -0.680  -4.044
   64    HA   LEU  10           HA       LEU  10   4.614  -1.950  -6.238
   65    HB2  LEU  10           1HB      LEU  10   1.980  -0.923  -5.590
   66    HB3  LEU  10           2HB      LEU  10   2.418  -0.607  -7.267
   67    HG   LEU  10           HG       LEU  10   1.122  -2.689  -6.965
   68   HD11  LEU  10          1HD1      LEU  10   3.320  -4.082  -7.921
   69   HD12  LEU  10          2HD1      LEU  10   3.663  -2.397  -8.312
   70   HD13  LEU  10          3HD1      LEU  10   2.167  -3.144  -8.872
   71   HD21  LEU  10          3HD2      LEU  10   2.223  -3.176  -4.710
   72   HD22  LEU  10          1HD2      LEU  10   3.556  -3.851  -5.647
   73   HD23  LEU  10          2HD2      LEU  10   1.941  -4.542  -5.790
   74    H    MET  11           H        MET  11   3.986   1.402  -5.382
   75    HA   MET  11           HA       MET  11   4.701   2.537  -7.873
   76    HB2  MET  11           1HB      MET  11   3.606   3.507  -5.582
   77    HB3  MET  11           2HB      MET  11   5.243   4.135  -5.451
   78    HG2  MET  11           1HG      MET  11   5.040   5.258  -7.562
   79    HG3  MET  11           2HG      MET  11   3.464   4.520  -7.846
   80    HE1  MET  11           3HE      MET  11   3.476   6.967  -8.533
   81    HE2  MET  11           1HE      MET  11   1.998   7.550  -7.765
   82    HE3  MET  11           2HE      MET  11   3.536   8.347  -7.435
  Start of MODEL    5
    1    H1   THR   1           H        THR   1  -7.403   2.756   5.328
    2    HA   THR   1           HA       THR   1  -5.408   2.977   4.253
    3    HB   THR   1           HB       THR   1  -5.417   5.163   5.432
    4    HG1  THR   1           HG1      THR   1  -3.698   4.878   4.072
    5   HG21  THR   1          3HG2      THR   1  -3.757   3.688   7.478
    6   HG22  THR   1          1HG2      THR   1  -5.360   4.375   7.733
    7   HG23  THR   1          2HG2      THR   1  -3.986   5.435   7.421
    8    H    GLY   2           H        GLY   2  -5.875   0.671   6.088
    9    HA2  GLY   2           1HA      GLY   2  -3.132   0.040   6.919
   10    HA3  GLY   2           2HA      GLY   2  -4.579  -0.836   7.396
   11    H    LYS   3           H        LYS   3  -5.722  -1.189   4.844
   12    HA   LYS   3           HA       LYS   3  -4.105  -3.394   3.915
   13    HB2  LYS   3           1HB      LYS   3  -6.855  -2.773   3.944
   14    HB3  LYS   3           2HB      LYS   3  -6.396  -2.870   2.250
   15    HG2  LYS   3           1HG      LYS   3  -5.352  -5.097   2.773
   16    HG3  LYS   3           2HG      LYS   3  -6.120  -4.993   4.358
   17    HD2  LYS   3           1HD      LYS   3  -7.571  -4.874   1.715
   18    HD3  LYS   3           2HD      LYS   3  -7.442  -6.307   2.736
   19    HE2  LYS   3           1HE      LYS   3  -8.351  -4.326   4.451
   20    HE3  LYS   3           2HE      LYS   3  -9.222  -4.025   2.947
   21    HZ1  LYS   3           3HZ      LYS   3 -10.312  -6.002   3.073
   22    HZ2  LYS   3           1HZ      LYS   3 -10.111  -5.713   4.728
   23    HZ3  LYS   3           2HZ      LYS   3  -9.074  -6.780   3.923
   24    H    ALA   4           H        ALA   4  -4.645  -0.125   3.033
   25    HA   ALA   4           HA       ALA   4  -3.763  -0.480   0.288
   26    HB1  ALA   4           3HB      ALA   4  -4.587   1.930   1.886
   27    HB2  ALA   4           1HB      ALA   4  -3.944   2.043   0.247
   28    HB3  ALA   4           2HB      ALA   4  -5.442   1.159   0.549
   29    H    SER   5           H        SER   5  -2.004  -1.097   2.630
   30    HA   SER   5           HA       SER   5   0.067   0.926   2.502
   31    HB2  SER   5           1HB      SER   5  -0.081   0.028   4.650
   32    HB3  SER   5           2HB      SER   5  -0.318  -1.615   4.054
   33    HG   SER   5           HG       SER   5   1.763  -1.882   4.045
   34    H    GLN   6           H        GLN   6  -0.461  -2.384   1.396
   35    HA   GLN   6           HA       GLN   6   2.133  -2.817   0.370
   36    HB2  GLN   6           1HB      GLN   6   1.129  -4.682  -0.861
   37    HB3  GLN   6           2HB      GLN   6   0.586  -4.656   0.812
   38    HG2  GLN   6           1HG      GLN   6  -1.551  -3.927   0.233
   39    HG3  GLN   6           2HG      GLN   6  -1.036  -3.401  -1.369
   40   HE21  GLN   6          2HE2      GLN   6  -3.076  -5.383  -0.237
   41   HE22  GLN   6          1HE2      GLN   6  -2.827  -6.802  -1.190
   42    H    PHE   7           H        PHE   7  -0.626  -1.116  -0.844
   43    HA   PHE   7           HA       PHE   7   0.002  -1.150  -3.595
   44    HB2  PHE   7           1HB      PHE   7  -2.099  -0.232  -2.137
   45    HB3  PHE   7           2HB      PHE   7  -1.300   1.283  -2.544
   46    HD1  PHE   7           HD2      PHE   7  -0.785   1.721  -5.006
   47    HD2  PHE   7           HD1      PHE   7  -3.478  -1.293  -3.673
   48    HE1  PHE   7           HE2      PHE   7  -1.827   1.672  -7.235
   49    HE2  PHE   7           HE1      PHE   7  -4.525  -1.347  -5.899
   50    HZ   PHE   7           HZ       PHE   7  -3.700   0.136  -7.683
   51    H    PHE   8           H        PHE   8   1.103   0.825  -0.927
   52    HA   PHE   8           HA       PHE   8   2.301   2.881  -2.466
   53    HB2  PHE   8           1HB      PHE   8   1.982   2.266   0.285
   54    HB3  PHE   8           2HB      PHE   8   3.704   2.501   0.002
   55    HD1  PHE   8           HD1      PHE   8   0.663   4.138  -1.408
   56    HD2  PHE   8           HD2      PHE   8   4.320   4.591   0.724
   57    HE1  PHE   8           HE1      PHE   8   0.333   6.576  -1.365
   58    HE2  PHE   8           HE2      PHE   8   3.994   7.029   0.772
   59    HZ   PHE   8           HZ       PHE   8   1.998   8.024  -0.273
   60    H    GLY   9           H        GLY   9   3.320  -0.307  -1.513
   61    HA2  GLY   9           1HA      GLY   9   6.110   0.097  -2.031
   62    HA3  GLY   9           2HA      GLY   9   5.305  -1.449  -1.804
   63    H    LEU  10           H        LEU  10   3.358  -0.678  -3.984
   64    HA   LEU  10           HA       LEU  10   4.746  -1.934  -6.120
   65    HB2  LEU  10           1HB      LEU  10   2.081  -1.326  -5.467
   66    HB3  LEU  10           2HB      LEU  10   2.400  -0.539  -7.011
   67    HG   LEU  10           HG       LEU  10   3.050  -2.683  -7.980
   68   HD11  LEU  10          1HD1      LEU  10   2.364  -4.722  -6.501
   69   HD12  LEU  10          2HD1      LEU  10   2.689  -3.612  -5.170
   70   HD13  LEU  10          3HD1      LEU  10   3.962  -3.994  -6.329
   71   HD21  LEU  10          3HD2      LEU  10   0.582  -3.679  -6.982
   72   HD22  LEU  10          1HD2      LEU  10   0.914  -2.901  -8.530
   73   HD23  LEU  10          2HD2      LEU  10   0.454  -1.927  -7.134
   74    H    MET  11           H        MET  11   3.926   1.402  -5.366
   75    HA   MET  11           HA       MET  11   4.836   2.408  -7.904
   76    HB2  MET  11           1HB      MET  11   4.452   4.621  -6.925
   77    HB3  MET  11           2HB      MET  11   3.066   3.567  -6.677
   78    HG2  MET  11           1HG      MET  11   3.537   3.293  -4.401
   79    HG3  MET  11           2HG      MET  11   5.176   3.916  -4.579
   80    HE1  MET  11           3HE      MET  11   5.794   5.973  -3.696
   81    HE2  MET  11           1HE      MET  11   5.566   6.683  -5.295
   82    HE3  MET  11           2HE      MET  11   4.946   7.510  -3.866
  Start of MODEL    6
    1    H1   THR   1           H        THR   1  -6.998   2.081   5.256
    2    HA   THR   1           HA       THR   1  -4.640   3.783   4.782
    3    HB   THR   1           HB       THR   1  -6.292   4.684   6.414
    4    HG1  THR   1           HG1      THR   1  -4.631   5.503   7.448
    5   HG21  THR   1          3HG2      THR   1  -7.003   3.560   8.246
    6   HG22  THR   1          1HG2      THR   1  -5.453   2.757   8.487
    7   HG23  THR   1          2HG2      THR   1  -6.586   2.144   7.282
    8    H    GLY   2           H        GLY   2  -5.786   0.743   6.068
    9    HA2  GLY   2           1HA      GLY   2  -3.063   0.034   6.916
   10    HA3  GLY   2           2HA      GLY   2  -4.529  -0.828   7.356
   11    H    LYS   3           H        LYS   3  -5.738  -1.326   4.998
   12    HA   LYS   3           HA       LYS   3  -4.129  -3.433   3.934
   13    HB2  LYS   3           1HB      LYS   3  -6.847  -2.882   4.066
   14    HB3  LYS   3           2HB      LYS   3  -6.478  -2.748   2.351
   15    HG2  LYS   3           1HG      LYS   3  -5.640  -4.978   2.280
   16    HG3  LYS   3           2HG      LYS   3  -5.725  -5.123   4.037
   17    HD2  LYS   3           1HD      LYS   3  -7.833  -5.819   3.910
   18    HD3  LYS   3           2HD      LYS   3  -8.290  -4.364   3.023
   19    HE2  LYS   3           1HE      LYS   3  -7.223  -5.599   0.994
   20    HE3  LYS   3           2HE      LYS   3  -7.455  -7.040   1.982
   21    HZ1  LYS   3           3HZ      LYS   3  -9.317  -5.886   0.359
   22    HZ2  LYS   3           1HZ      LYS   3  -9.787  -5.389   1.906
   23    HZ3  LYS   3           2HZ      LYS   3  -9.623  -7.037   1.560
   24    H    ALA   4           H        ALA   4  -4.635  -0.141   3.117
   25    HA   ALA   4           HA       ALA   4  -3.776  -0.456   0.360
   26    HB1  ALA   4           3HB      ALA   4  -4.576   1.621   0.003
   27    HB2  ALA   4           1HB      ALA   4  -5.427   1.331   1.520
   28    HB3  ALA   4           2HB      ALA   4  -3.921   2.250   1.515
   29    H    SER   5           H        SER   5  -2.009  -1.135   2.679
   30    HA   SER   5           HA       SER   5   0.086   0.865   2.573
   31    HB2  SER   5           1HB      SER   5  -0.624  -0.660   4.596
   32    HB3  SER   5           2HB      SER   5   0.457  -1.827   3.836
   33    HG   SER   5           HG       SER   5   2.041  -0.749   4.669
   34    H    GLN   6           H        GLN   6  -0.490  -2.418   1.410
   35    HA   GLN   6           HA       GLN   6   2.094  -2.859   0.358
   36    HB2  GLN   6           1HB      GLN   6   0.944  -4.629  -1.015
   37    HB3  GLN   6           2HB      GLN   6   0.691  -4.750   0.721
   38    HG2  GLN   6           1HG      GLN   6  -1.367  -3.137  -0.440
   39    HG3  GLN   6           2HG      GLN   6  -1.242  -4.666  -1.308
   40   HE21  GLN   6          2HE2      GLN   6  -3.148  -5.500  -0.552
   41   HE22  GLN   6          1HE2      GLN   6  -3.391  -5.964   1.094
   42    H    PHE   7           H        PHE   7  -0.658  -1.111  -0.805
   43    HA   PHE   7           HA       PHE   7  -0.052  -1.105  -3.561
   44    HB2  PHE   7           1HB      PHE   7  -1.800   0.449  -1.748
   45    HB3  PHE   7           2HB      PHE   7  -1.339   1.253  -3.245
   46    HD1  PHE   7           HD1      PHE   7  -1.587  -0.261  -5.403
   47    HD2  PHE   7           HD2      PHE   7  -3.695  -0.840  -1.750
   48    HE1  PHE   7           HE1      PHE   7  -3.331  -1.508  -6.611
   49    HE2  PHE   7           HE2      PHE   7  -5.441  -2.089  -2.952
   50    HZ   PHE   7           HZ       PHE   7  -5.260  -2.426  -5.385
   51    H    PHE   8           H        PHE   8   1.090   0.814  -0.869
   52    HA   PHE   8           HA       PHE   8   2.296   2.882  -2.383
   53    HB2  PHE   8           1HB      PHE   8   1.786   3.110   0.016
   54    HB3  PHE   8           2HB      PHE   8   2.992   1.883   0.387
   55    HD1  PHE   8           HD2      PHE   8   2.758   5.092  -1.507
   56    HD2  PHE   8           HD1      PHE   8   5.032   2.623   1.110
   57    HE1  PHE   8           HE2      PHE   8   4.484   6.839  -1.366
   58    HE2  PHE   8           HE1      PHE   8   6.763   4.367   1.255
   59    HZ   PHE   8           HZ       PHE   8   6.491   6.477   0.016
   60    H    GLY   9           H        GLY   9   3.290  -0.331  -1.491
   61    HA2  GLY   9           1HA      GLY   9   6.081   0.054  -2.025
   62    HA3  GLY   9           2HA      GLY   9   5.262  -1.487  -1.818
   63    H    LEU  10           H        LEU  10   3.306  -0.659  -3.969
   64    HA   LEU  10           HA       LEU  10   4.665  -1.893  -6.136
   65    HB2  LEU  10           1HB      LEU  10   2.027  -1.370  -5.447
   66    HB3  LEU  10           2HB      LEU  10   2.293  -0.413  -6.902
   67    HG   LEU  10           HG       LEU  10   3.175  -3.234  -7.006
   68   HD11  LEU  10          1HD1      LEU  10   0.496  -3.348  -7.743
   69   HD12  LEU  10          2HD1      LEU  10   0.503  -2.512  -6.191
   70   HD13  LEU  10          3HD1      LEU  10   1.245  -4.105  -6.337
   71   HD21  LEU  10          3HD2      LEU  10   2.455  -3.063  -9.266
   72   HD22  LEU  10          1HD2      LEU  10   3.312  -1.571  -8.880
   73   HD23  LEU  10          2HD2      LEU  10   1.549  -1.587  -8.933
   74    H    MET  11           H        MET  11   3.883   1.437  -5.320
   75    HA   MET  11           HA       MET  11   4.835   2.456  -7.849
   76    HB2  MET  11           1HB      MET  11   2.981   3.497  -6.464
   77    HB3  MET  11           2HB      MET  11   4.233   4.044  -5.356
   78    HG2  MET  11           1HG      MET  11   4.849   5.719  -6.690
   79    HG3  MET  11           2HG      MET  11   4.769   4.719  -8.140
   80    HE1  MET  11           3HE      MET  11   3.001   6.412  -5.427
   81    HE2  MET  11           1HE      MET  11   2.362   7.759  -6.371
   82    HE3  MET  11           2HE      MET  11   1.299   6.435  -5.894
  Start of MODEL    7
    1    H1   THR   1           H        THR   1  -6.081   2.922   6.003
    2    HA   THR   1           HA       THR   1  -3.849   3.163   4.215
    3    HB   THR   1           HB       THR   1  -3.240   4.093   6.997
    4    HG1  THR   1           HG1      THR   1  -3.834   6.117   6.541
    5   HG21  THR   1          3HG2      THR   1  -1.600   5.432   5.324
    6   HG22  THR   1          1HG2      THR   1  -1.903   3.983   4.367
    7   HG23  THR   1          2HG2      THR   1  -1.228   3.843   5.989
    8    H    GLY   2           H        GLY   2  -5.534   1.090   5.436
    9    HA2  GLY   2           1HA      GLY   2  -3.603  -0.324   7.141
   10    HA3  GLY   2           2HA      GLY   2  -5.303  -0.733   6.959
   11    H    LYS   3           H        LYS   3  -5.940  -1.471   4.720
   12    HA   LYS   3           HA       LYS   3  -4.131  -3.575   3.930
   13    HB2  LYS   3           1HB      LYS   3  -6.956  -2.847   3.375
   14    HB3  LYS   3           2HB      LYS   3  -6.126  -3.795   2.148
   15    HG2  LYS   3           1HG      LYS   3  -6.890  -5.522   3.366
   16    HG3  LYS   3           2HG      LYS   3  -5.454  -5.195   4.339
   17    HD2  LYS   3           1HD      LYS   3  -6.994  -3.578   5.643
   18    HD3  LYS   3           2HD      LYS   3  -8.312  -4.473   4.883
   19    HE2  LYS   3           1HE      LYS   3  -8.082  -5.708   6.783
   20    HE3  LYS   3           2HE      LYS   3  -6.913  -6.545   5.761
   21    HZ1  LYS   3           3HZ      LYS   3  -5.680  -6.187   7.632
   22    HZ2  LYS   3           1HZ      LYS   3  -6.445  -4.727   8.014
   23    HZ3  LYS   3           2HZ      LYS   3  -5.299  -4.781   6.772
   24    H    ALA   4           H        ALA   4  -4.879  -0.396   2.885
   25    HA   ALA   4           HA       ALA   4  -3.882  -0.803   0.187
   26    HB1  ALA   4           3HB      ALA   4  -5.635   1.016   1.351
   27    HB2  ALA   4           1HB      ALA   4  -4.204   1.964   0.949
   28    HB3  ALA   4           2HB      ALA   4  -5.029   1.038  -0.305
   29    H    SER   5           H        SER   5  -2.163  -1.184   2.607
   30    HA   SER   5           HA       SER   5  -0.243   0.982   2.450
   31    HB2  SER   5           1HB      SER   5  -0.340  -1.580   4.047
   32    HB3  SER   5           2HB      SER   5   1.043  -0.486   4.084
   33    HG   SER   5           HG       SER   5  -1.490  -0.193   5.171
   34    H    GLN   6           H        GLN   6  -0.489  -2.404   1.481
   35    HA   GLN   6           HA       GLN   6   2.164  -2.684   0.555
   36    HB2  GLN   6           1HB      GLN   6   1.257  -4.637  -0.716
   37    HB3  GLN   6           2HB      GLN   6   0.865  -4.651   0.997
   38    HG2  GLN   6           1HG      GLN   6  -1.299  -4.738   0.560
   39    HG3  GLN   6           2HG      GLN   6  -1.199  -3.303  -0.459
   40   HE21  GLN   6          2HE2      GLN   6   0.207  -6.534  -0.809
   41   HE22  GLN   6          1HE2      GLN   6  -0.519  -6.874  -2.339
   42    H    PHE   7           H        PHE   7  -0.670  -1.249  -0.820
   43    HA   PHE   7           HA       PHE   7   0.053  -1.355  -3.545
   44    HB2  PHE   7           1HB      PHE   7  -1.820   0.324  -1.922
   45    HB3  PHE   7           2HB      PHE   7  -1.469   0.793  -3.582
   46    HD1  PHE   7           HD1      PHE   7  -2.805  -1.930  -1.473
   47    HD2  PHE   7           HD2      PHE   7  -2.465  -0.318  -5.398
   48    HE1  PHE   7           HE1      PHE   7  -4.483  -3.541  -2.277
   49    HE2  PHE   7           HE2      PHE   7  -4.143  -1.925  -6.207
   50    HZ   PHE   7           HZ       PHE   7  -5.155  -3.539  -4.646
   51    H    PHE   8           H        PHE   8   0.913   0.811  -0.938
   52    HA   PHE   8           HA       PHE   8   2.009   2.882  -2.529
   53    HB2  PHE   8           1HB      PHE   8   1.364   3.130  -0.133
   54    HB3  PHE   8           2HB      PHE   8   2.747   2.133   0.307
   55    HD1  PHE   8           HD1      PHE   8   1.883   5.249  -1.536
   56    HD2  PHE   8           HD2      PHE   8   4.773   3.136   0.766
   57    HE1  PHE   8           HE1      PHE   8   3.307   7.254  -1.489
   58    HE2  PHE   8           HE2      PHE   8   6.201   5.139   0.818
   59    HZ   PHE   8           HZ       PHE   8   5.469   7.202  -0.310
   60    H    GLY   9           H        GLY   9   3.227  -0.176  -1.402
   61    HA2  GLY   9           1HA      GLY   9   5.996   0.413  -1.852
   62    HA3  GLY   9           2HA      GLY   9   5.300  -1.178  -1.580
   63    H    LEU  10           H        LEU  10   3.377  -0.649  -3.851
   64    HA   LEU  10           HA       LEU  10   4.923  -1.889  -5.885
   65    HB2  LEU  10           1HB      LEU  10   2.200  -1.451  -5.343
   66    HB3  LEU  10           2HB      LEU  10   2.515  -0.713  -6.912
   67    HG   LEU  10           HG       LEU  10   3.640  -3.032  -7.423
   68   HD11  LEU  10          1HD1      LEU  10   3.278  -3.763  -5.026
   69   HD12  LEU  10          2HD1      LEU  10   2.738  -4.882  -6.278
   70   HD13  LEU  10          3HD1      LEU  10   1.563  -3.883  -5.424
   71   HD21  LEU  10          3HD2      LEU  10   1.136  -1.858  -7.913
   72   HD22  LEU  10          1HD2      LEU  10   0.822  -3.545  -7.510
   73   HD23  LEU  10          2HD2      LEU  10   1.925  -3.146  -8.826
   74    H    MET  11           H        MET  11   3.836   1.406  -5.309
   75    HA   MET  11           HA       MET  11   4.764   2.366  -7.860
   76    HB2  MET  11           1HB      MET  11   3.070   3.330  -5.825
   77    HB3  MET  11           2HB      MET  11   4.414   4.461  -5.917
   78    HG2  MET  11           1HG      MET  11   3.379   5.424  -7.614
   79    HG3  MET  11           2HG      MET  11   3.722   3.979  -8.562
   80    HE1  MET  11           3HE      MET  11   1.684   4.117 -10.174
   81    HE2  MET  11           1HE      MET  11   0.063   4.573  -9.649
   82    HE3  MET  11           2HE      MET  11   1.396   5.714  -9.480
  Start of MODEL    8
    1    H1   THR   1           H        THR   1  -8.126  -0.510   6.928
    2    HA   THR   1           HA       THR   1  -8.142   1.797   6.541
    3    HB   THR   1           HB       THR   1  -8.421   2.369   8.885
    4    HG1  THR   1           HG1      THR   1  -7.880   4.229   7.987
    5   HG21  THR   1          3HG2      THR   1  -6.852   0.987   9.998
    6   HG22  THR   1          1HG2      THR   1  -6.328   2.644  10.291
    7   HG23  THR   1          2HG2      THR   1  -5.501   1.659   9.085
    8    H    GLY   2           H        GLY   2  -5.422  -0.117   7.530
    9    HA2  GLY   2           1HA      GLY   2  -3.617   1.546   5.902
   10    HA3  GLY   2           2HA      GLY   2  -3.105   0.388   7.121
   11    H    LYS   3           H        LYS   3  -5.590  -0.347   4.780
   12    HA   LYS   3           HA       LYS   3  -4.135  -2.640   3.866
   13    HB2  LYS   3           1HB      LYS   3  -6.828  -1.780   3.862
   14    HB3  LYS   3           2HB      LYS   3  -6.376  -2.016   2.179
   15    HG2  LYS   3           1HG      LYS   3  -6.053  -4.061   4.365
   16    HG3  LYS   3           2HG      LYS   3  -7.362  -4.024   3.182
   17    HD2  LYS   3           1HD      LYS   3  -5.621  -4.169   1.385
   18    HD3  LYS   3           2HD      LYS   3  -4.422  -4.431   2.653
   19    HE2  LYS   3           1HE      LYS   3  -6.844  -6.153   2.640
   20    HE3  LYS   3           2HE      LYS   3  -5.619  -6.444   1.407
   21    HZ1  LYS   3           3HZ      LYS   3  -5.279  -7.784   3.414
   22    HZ2  LYS   3           1HZ      LYS   3  -5.096  -6.372   4.330
   23    HZ3  LYS   3           2HZ      LYS   3  -3.975  -6.746   3.120
   24    H    ALA   4           H        ALA   4  -4.413   0.627   2.862
   25    HA   ALA   4           HA       ALA   4  -3.578   0.099   0.131
   26    HB1  ALA   4           3HB      ALA   4  -5.147   1.880   0.423
   27    HB2  ALA   4           1HB      ALA   4  -4.112   2.664   1.617
   28    HB3  ALA   4           2HB      ALA   4  -3.608   2.585  -0.072
   29    H    SER   5           H        SER   5  -1.862  -0.570   2.489
   30    HA   SER   5           HA       SER   5   0.366   1.272   2.280
   31    HB2  SER   5           1HB      SER   5  -0.285  -1.106   3.968
   32    HB3  SER   5           2HB      SER   5   1.409  -0.653   3.777
   33    HG   SER   5           HG       SER   5   0.183   0.330   5.582
   34    H    GLN   6           H        GLN   6  -0.435  -2.023   1.302
   35    HA   GLN   6           HA       GLN   6   2.111  -2.700   0.285
   36    HB2  GLN   6           1HB      GLN   6   0.950  -4.525  -0.873
   37    HB3  GLN   6           2HB      GLN   6   0.434  -4.395   0.802
   38    HG2  GLN   6           1HG      GLN   6  -1.600  -3.270   0.116
   39    HG3  GLN   6           2HG      GLN   6  -1.076  -3.317  -1.566
   40   HE21  GLN   6          2HE2      GLN   6  -3.415  -4.483  -0.112
   41   HE22  GLN   6          1HE2      GLN   6  -3.404  -6.158  -0.534
   42    H    PHE   7           H        PHE   7  -0.513  -0.834  -0.984
   43    HA   PHE   7           HA       PHE   7   0.092  -1.025  -3.734
   44    HB2  PHE   7           1HB      PHE   7  -1.967   0.026  -2.414
   45    HB3  PHE   7           2HB      PHE   7  -1.038   1.505  -2.636
   46    HD1  PHE   7           HD2      PHE   7  -0.419   2.209  -4.967
   47    HD2  PHE   7           HD1      PHE   7  -3.216  -0.897  -4.167
   48    HE1  PHE   7           HE2      PHE   7  -1.307   2.425  -7.252
   49    HE2  PHE   7           HE1      PHE   7  -4.107  -0.687  -6.451
   50    HZ   PHE   7           HZ       PHE   7  -3.154   0.976  -7.996
   51    H    PHE   8           H        PHE   8   1.362   0.959  -1.149
   52    HA   PHE   8           HA       PHE   8   2.708   2.852  -2.771
   53    HB2  PHE   8           1HB      PHE   8   2.191   2.698  -0.127
   54    HB3  PHE   8           2HB      PHE   8   3.873   2.180  -0.131
   55    HD1  PHE   8           HD2      PHE   8   1.895   4.788  -1.932
   56    HD2  PHE   8           HD1      PHE   8   5.322   3.860   0.416
   57    HE1  PHE   8           HE2      PHE   8   2.613   7.138  -2.057
   58    HE2  PHE   8           HE1      PHE   8   6.045   6.209   0.295
   59    HZ   PHE   8           HZ       PHE   8   4.690   7.851  -0.944
   60    H    GLY   9           H        GLY   9   3.480  -0.366  -1.698
   61    HA2  GLY   9           1HA      GLY   9   6.290  -0.205  -2.243
   62    HA3  GLY   9           2HA      GLY   9   5.367  -1.672  -1.952
   63    H    LEU  10           H        LEU  10   3.473  -0.834  -4.154
   64    HA   LEU  10           HA       LEU  10   4.741  -2.278  -6.243
   65    HB2  LEU  10           1HB      LEU  10   2.170  -1.719  -5.598
   66    HB3  LEU  10           2HB      LEU  10   2.423  -0.607  -6.942
   67    HG   LEU  10           HG       LEU  10   3.140  -3.487  -7.272
   68   HD11  LEU  10          1HD1      LEU  10   0.722  -3.638  -8.234
   69   HD12  LEU  10          2HD1      LEU  10   0.391  -2.343  -7.085
   70   HD13  LEU  10          3HD1      LEU  10   1.006  -3.892  -6.512
   71   HD21  LEU  10          3HD2      LEU  10   1.776  -2.167  -9.438
   72   HD22  LEU  10          1HD2      LEU  10   3.385  -2.887  -9.397
   73   HD23  LEU  10          2HD2      LEU  10   3.155  -1.213  -8.891
   74    H    MET  11           H        MET  11   4.192   1.139  -5.617
   75    HA   MET  11           HA       MET  11   5.173   1.965  -8.197
   76    HB2  MET  11           1HB      MET  11   3.914   3.219  -5.896
   77    HB3  MET  11           2HB      MET  11   5.247   4.183  -6.519
   78    HG2  MET  11           1HG      MET  11   4.243   4.198  -8.722
   79    HG3  MET  11           2HG      MET  11   2.937   3.160  -8.154
   80    HE1  MET  11           3HE      MET  11   1.348   5.343  -9.339
   81    HE2  MET  11           1HE      MET  11   1.734   6.994  -8.858
   82    HE3  MET  11           2HE      MET  11   2.952   6.004  -9.661
  Start of MODEL    9
    1    H1   THR   1           H        THR   1  -5.356   3.695   6.687
    2    HA   THR   1           HA       THR   1  -4.664   2.880   3.941
    3    HB   THR   1           HB       THR   1  -2.634   4.024   5.846
    4    HG1  THR   1           HG1      THR   1  -3.772   5.821   5.568
    5   HG21  THR   1          3HG2      THR   1  -1.578   4.582   3.569
    6   HG22  THR   1          1HG2      THR   1  -2.749   3.448   2.900
    7   HG23  THR   1          2HG2      THR   1  -1.569   2.897   4.089
    8    H    GLY   2           H        GLY   2  -5.696   1.084   5.774
    9    HA2  GLY   2           1HA      GLY   2  -3.520  -0.283   7.107
   10    HA3  GLY   2           2HA      GLY   2  -5.200  -0.794   7.054
   11    H    LYS   3           H        LYS   3  -5.919  -1.449   4.742
   12    HA   LYS   3           HA       LYS   3  -4.140  -3.565   3.920
   13    HB2  LYS   3           1HB      LYS   3  -6.747  -3.585   4.087
   14    HB3  LYS   3           2HB      LYS   3  -6.679  -2.862   2.486
   15    HG2  LYS   3           1HG      LYS   3  -6.821  -5.058   1.916
   16    HG3  LYS   3           2HG      LYS   3  -5.067  -4.891   2.011
   17    HD2  LYS   3           1HD      LYS   3  -4.919  -6.263   3.780
   18    HD3  LYS   3           2HD      LYS   3  -6.331  -5.550   4.565
   19    HE2  LYS   3           1HE      LYS   3  -7.256  -7.557   4.117
   20    HE3  LYS   3           2HE      LYS   3  -7.525  -6.844   2.528
   21    HZ1  LYS   3           3HZ      LYS   3  -6.364  -9.159   2.793
   22    HZ2  LYS   3           1HZ      LYS   3  -4.982  -8.211   3.025
   23    HZ3  LYS   3           2HZ      LYS   3  -5.871  -8.075   1.592
   24    H    ALA   4           H        ALA   4  -4.850  -0.363   2.916
   25    HA   ALA   4           HA       ALA   4  -3.862  -0.749   0.212
   26    HB1  ALA   4           3HB      ALA   4  -4.347   1.604  -0.106
   27    HB2  ALA   4           1HB      ALA   4  -5.727   0.797   0.641
   28    HB3  ALA   4           2HB      ALA   4  -4.654   1.797   1.620
   29    H    SER   5           H        SER   5  -2.144  -1.180   2.623
   30    HA   SER   5           HA       SER   5  -0.198   0.963   2.489
   31    HB2  SER   5           1HB      SER   5  -0.662  -1.401   4.207
   32    HB3  SER   5           2HB      SER   5   1.026  -0.949   3.973
   33    HG   SER   5           HG       SER   5  -1.029   0.813   4.828
   34    H    GLN   6           H        GLN   6  -0.486  -2.408   1.479
   35    HA   GLN   6           HA       GLN   6   2.163  -2.703   0.540
   36    HB2  GLN   6           1HB      GLN   6   1.410  -4.717  -0.506
   37    HB3  GLN   6           2HB      GLN   6   0.567  -4.573   1.031
   38    HG2  GLN   6           1HG      GLN   6  -1.183  -3.346  -0.629
   39    HG3  GLN   6           2HG      GLN   6  -0.477  -4.547  -1.708
   40   HE21  GLN   6          2HE2      GLN   6  -0.347  -6.785  -0.756
   41   HE22  GLN   6          1HE2      GLN   6  -1.719  -7.329   0.142
   42    H    PHE   7           H        PHE   7  -0.669  -1.236  -0.806
   43    HA   PHE   7           HA       PHE   7   0.036  -1.325  -3.536
   44    HB2  PHE   7           1HB      PHE   7  -2.084  -0.295  -2.003
   45    HB3  PHE   7           2HB      PHE   7  -1.417   1.078  -2.879
   46    HD1  PHE   7           HD2      PHE   7  -1.426   1.116  -5.323
   47    HD2  PHE   7           HD1      PHE   7  -3.218  -2.068  -3.137
   48    HE1  PHE   7           HE2      PHE   7  -2.637   0.413  -7.346
   49    HE2  PHE   7           HE1      PHE   7  -4.431  -2.776  -5.157
   50    HZ   PHE   7           HZ       PHE   7  -4.143  -1.534  -7.265
   51    H    PHE   8           H        PHE   8   0.930   0.814  -0.917
   52    HA   PHE   8           HA       PHE   8   2.032   2.888  -2.500
   53    HB2  PHE   8           1HB      PHE   8   1.827   2.234   0.313
   54    HB3  PHE   8           2HB      PHE   8   3.425   2.866  -0.070
   55    HD1  PHE   8           HD2      PHE   8   3.689   5.130  -0.948
   56    HD2  PHE   8           HD1      PHE   8  -0.121   3.617   0.197
   57    HE1  PHE   8           HE2      PHE   8   2.791   7.420  -0.923
   58    HE2  PHE   8           HE1      PHE   8  -1.026   5.905   0.222
   59    HZ   PHE   8           HZ       PHE   8   0.430   7.810  -0.338
   60    H    GLY   9           H        GLY   9   3.233  -0.188  -1.402
   61    HA2  GLY   9           1HA      GLY   9   6.004   0.384  -1.863
   62    HA3  GLY   9           2HA      GLY   9   5.297  -1.204  -1.600
   63    H    LEU  10           H        LEU  10   3.365  -0.642  -3.857
   64    HA   LEU  10           HA       LEU  10   4.892  -1.878  -5.907
   65    HB2  LEU  10           1HB      LEU  10   2.212  -1.577  -5.333
   66    HB3  LEU  10           2HB      LEU  10   2.425  -0.605  -6.787
   67    HG   LEU  10           HG       LEU  10   3.643  -2.821  -7.618
   68   HD11  LEU  10          1HD1      LEU  10   1.950  -4.658  -6.728
   69   HD12  LEU  10          2HD1      LEU  10   1.997  -3.636  -5.291
   70   HD13  LEU  10          3HD1      LEU  10   3.487  -4.331  -5.928
   71   HD21  LEU  10          3HD2      LEU  10   1.007  -3.478  -8.080
   72   HD22  LEU  10          1HD2      LEU  10   1.994  -2.391  -9.057
   73   HD23  LEU  10          2HD2      LEU  10   0.949  -1.738  -7.795
   74    H    MET  11           H        MET  11   3.831   1.420  -5.299
   75    HA   MET  11           HA       MET  11   4.669   2.422  -7.847
   76    HB2  MET  11           1HB      MET  11   2.966   3.386  -6.057
   77    HB3  MET  11           2HB      MET  11   4.404   4.216  -5.478
   78    HG2  MET  11           1HG      MET  11   4.032   4.392  -8.366
   79    HG3  MET  11           2HG      MET  11   2.722   5.111  -7.431
   80    HE1  MET  11           3HE      MET  11   6.469   4.907  -8.078
   81    HE2  MET  11           1HE      MET  11   5.889   6.125  -9.215
   82    HE3  MET  11           2HE      MET  11   6.994   6.585  -7.920
  Start of MODEL   10
    1    H1   THR   1           H        THR   1  -6.661   0.989   9.035
    2    HA   THR   1           HA       THR   1  -8.115   0.767   6.520
    3    HB   THR   1           HB       THR   1  -7.349   3.545   7.185
    4    HG1  THR   1           HG1      THR   1  -9.579   2.235   8.382
    5   HG21  THR   1          3HG2      THR   1  -8.474   2.646   5.058
    6   HG22  THR   1          1HG2      THR   1  -9.150   4.100   5.790
    7   HG23  THR   1          2HG2      THR   1  -9.937   2.541   6.037
    8    H    GLY   2           H        GLY   2  -5.564  -0.210   7.403
    9    HA2  GLY   2           1HA      GLY   2  -3.713   1.476   5.841
   10    HA3  GLY   2           2HA      GLY   2  -3.223   0.344   7.093
   11    H    LYS   3           H        LYS   3  -5.628  -0.423   4.669
   12    HA   LYS   3           HA       LYS   3  -4.113  -2.717   3.832
   13    HB2  LYS   3           1HB      LYS   3  -6.044  -3.153   2.350
   14    HB3  LYS   3           2HB      LYS   3  -6.523  -2.895   4.022
   15    HG2  LYS   3           1HG      LYS   3  -7.829  -1.194   3.463
   16    HG3  LYS   3           2HG      LYS   3  -6.532  -0.415   2.553
   17    HD2  LYS   3           1HD      LYS   3  -7.034  -1.782   0.612
   18    HD3  LYS   3           2HD      LYS   3  -8.274  -2.653   1.520
   19    HE2  LYS   3           1HE      LYS   3  -9.768  -0.953   1.368
   20    HE3  LYS   3           2HE      LYS   3  -8.521   0.292   1.437
   21    HZ1  LYS   3           3HZ      LYS   3  -9.629  -1.102  -0.870
   22    HZ2  LYS   3           1HZ      LYS   3  -7.974  -0.754  -0.921
   23    HZ3  LYS   3           2HZ      LYS   3  -9.096   0.497  -0.724
   24    H    ALA   4           H        ALA   4  -4.468   0.524   2.775
   25    HA   ALA   4           HA       ALA   4  -3.588  -0.023   0.061
   26    HB1  ALA   4           3HB      ALA   4  -3.732   2.740   1.163
   27    HB2  ALA   4           1HB      ALA   4  -4.139   2.142  -0.447
   28    HB3  ALA   4           2HB      ALA   4  -5.230   1.845   0.908
   29    H    SER   5           H        SER   5  -1.881  -0.608   2.449
   30    HA   SER   5           HA       SER   5   0.298   1.291   2.234
   31    HB2  SER   5           1HB      SER   5  -0.142   0.393   4.430
   32    HB3  SER   5           2HB      SER   5  -0.022  -1.261   3.828
   33    HG   SER   5           HG       SER   5   1.971  -1.013   4.508
   34    H    GLN   6           H        GLN   6  -0.402  -2.040   1.299
   35    HA   GLN   6           HA       GLN   6   2.173  -2.661   0.319
   36    HB2  GLN   6           1HB      GLN   6   1.071  -4.535  -0.825
   37    HB3  GLN   6           2HB      GLN   6   0.550  -4.399   0.849
   38    HG2  GLN   6           1HG      GLN   6  -1.362  -2.939  -0.312
   39    HG3  GLN   6           2HG      GLN   6  -0.969  -4.017  -1.651
   40   HE21  GLN   6          2HE2      GLN   6  -1.301  -6.242  -1.414
   41   HE22  GLN   6          1HE2      GLN   6  -2.344  -6.878  -0.193
   42    H    PHE   7           H        PHE   7  -0.492  -0.895  -1.006
   43    HA   PHE   7           HA       PHE   7   0.144  -1.115  -3.746
   44    HB2  PHE   7           1HB      PHE   7  -1.924  -0.034  -2.379
   45    HB3  PHE   7           2HB      PHE   7  -1.044   1.429  -2.811
   46    HD1  PHE   7           HD1      PHE   7  -2.217  -1.742  -4.388
   47    HD2  PHE   7           HD2      PHE   7  -1.566   2.444  -4.799
   48    HE1  PHE   7           HE1      PHE   7  -3.216  -1.811  -6.635
   49    HE2  PHE   7           HE2      PHE   7  -2.566   2.383  -7.046
   50    HZ   PHE   7           HZ       PHE   7  -3.394   0.253  -7.966
   51    H    PHE   8           H        PHE   8   1.332   0.950  -1.186
   52    HA   PHE   8           HA       PHE   8   2.637   2.852  -2.828
   53    HB2  PHE   8           1HB      PHE   8   2.062   2.913  -0.273
   54    HB3  PHE   8           2HB      PHE   8   3.640   2.153  -0.091
   55    HD1  PHE   8           HD1      PHE   8   1.967   5.106  -1.603
   56    HD2  PHE   8           HD2      PHE   8   5.559   3.450  -0.029
   57    HE1  PHE   8           HE1      PHE   8   3.041   7.316  -1.737
   58    HE2  PHE   8           HE2      PHE   8   6.637   5.657  -0.161
   59    HZ   PHE   8           HZ       PHE   8   5.379   7.594  -1.015
   60    H    GLY   9           H        GLY   9   3.492  -0.323  -1.692
   61    HA2  GLY   9           1HA      GLY   9   6.301  -0.088  -2.213
   62    HA3  GLY   9           2HA      GLY   9   5.419  -1.576  -1.906
   63    H    LEU  10           H        LEU  10   3.521  -0.833  -4.139
   64    HA   LEU  10           HA       LEU  10   4.853  -2.274  -6.192
   65    HB2  LEU  10           1HB      LEU  10   2.221  -1.524  -5.588
   66    HB3  LEU  10           2HB      LEU  10   2.574  -0.801  -7.156
   67    HG   LEU  10           HG       LEU  10   2.768  -3.732  -6.460
   68   HD11  LEU  10          1HD1      LEU  10   0.917  -2.567  -8.487
   69   HD12  LEU  10          2HD1      LEU  10   0.482  -2.507  -6.780
   70   HD13  LEU  10          3HD1      LEU  10   0.779  -4.060  -7.559
   71   HD21  LEU  10          3HD2      LEU  10   2.956  -3.806  -9.056
   72   HD22  LEU  10          1HD2      LEU  10   4.390  -3.480  -8.081
   73   HD23  LEU  10          2HD2      LEU  10   3.542  -2.152  -8.876
   74    H    MET  11           H        MET  11   4.197   1.136  -5.631
   75    HA   MET  11           HA       MET  11   5.057   2.008  -8.208
   76    HB2  MET  11           1HB      MET  11   3.965   3.197  -5.831
   77    HB3  MET  11           2HB      MET  11   5.370   4.117  -6.353
   78    HG2  MET  11           1HG      MET  11   3.765   3.505  -8.627
   79    HG3  MET  11           2HG      MET  11   2.746   4.200  -7.369
   80    HE1  MET  11           3HE      MET  11   2.133   5.824  -8.968
   81    HE2  MET  11           1HE      MET  11   2.441   7.113  -7.802
   82    HE3  MET  11           2HE      MET  11   3.049   7.252  -9.453
  Start of MODEL   11
    1    H1   THR   1           H        THR   1  -6.826   2.988   5.467
    2    HA   THR   1           HA       THR   1  -4.294   3.388   4.171
    3    HB   THR   1           HB       THR   1  -4.756   3.691   7.128
    4    HG1  THR   1           HG1      THR   1  -5.910   5.468   6.792
    5   HG21  THR   1          3HG2      THR   1  -2.473   3.974   6.150
    6   HG22  THR   1          1HG2      THR   1  -3.092   5.413   6.959
    7   HG23  THR   1          2HG2      THR   1  -3.103   5.319   5.199
    8    H    GLY   2           H        GLY   2  -5.697   0.982   6.236
    9    HA2  GLY   2           1HA      GLY   2  -3.181  -0.138   7.090
   10    HA3  GLY   2           2HA      GLY   2  -4.775  -0.831   7.349
   11    H    LYS   3           H        LYS   3  -5.781  -1.278   4.932
   12    HA   LYS   3           HA       LYS   3  -4.149  -3.443   3.961
   13    HB2  LYS   3           1HB      LYS   3  -6.931  -2.665   3.834
   14    HB3  LYS   3           2HB      LYS   3  -6.341  -3.122   2.242
   15    HG2  LYS   3           1HG      LYS   3  -5.944  -4.843   4.671
   16    HG3  LYS   3           2HG      LYS   3  -7.367  -4.959   3.633
   17    HD2  LYS   3           1HD      LYS   3  -6.174  -5.813   1.863
   18    HD3  LYS   3           2HD      LYS   3  -4.663  -5.061   2.382
   19    HE2  LYS   3           1HE      LYS   3  -5.412  -6.848   4.422
   20    HE3  LYS   3           2HE      LYS   3  -5.650  -7.703   2.900
   21    HZ1  LYS   3           3HZ      LYS   3  -3.335  -6.910   2.317
   22    HZ2  LYS   3           1HZ      LYS   3  -3.442  -8.108   3.506
   23    HZ3  LYS   3           2HZ      LYS   3  -3.160  -6.500   3.948
   24    H    ALA   4           H        ALA   4  -4.702  -0.169   3.105
   25    HA   ALA   4           HA       ALA   4  -3.826  -0.501   0.355
   26    HB1  ALA   4           3HB      ALA   4  -5.567   1.126   0.823
   27    HB2  ALA   4           1HB      ALA   4  -4.491   1.989   1.922
   28    HB3  ALA   4           2HB      ALA   4  -4.127   1.931   0.197
   29    H    SER   5           H        SER   5  -2.060  -1.128   2.688
   30    HA   SER   5           HA       SER   5   0.004   0.904   2.571
   31    HB2  SER   5           1HB      SER   5  -0.547  -0.346   4.679
   32    HB3  SER   5           2HB      SER   5   0.112  -1.798   3.926
   33    HG   SER   5           HG       SER   5   2.016  -0.218   3.577
   34    H    GLN   6           H        GLN   6  -0.514  -2.399   1.442
   35    HA   GLN   6           HA       GLN   6   2.079  -2.818   0.409
   36    HB2  GLN   6           1HB      GLN   6   1.058  -4.662  -0.864
   37    HB3  GLN   6           2HB      GLN   6   0.563  -4.673   0.825
   38    HG2  GLN   6           1HG      GLN   6  -1.554  -3.592   0.183
   39    HG3  GLN   6           2HG      GLN   6  -1.058  -3.678  -1.507
   40   HE21  GLN   6          2HE2      GLN   6  -3.069  -5.039   0.540
   41   HE22  GLN   6          1HE2      GLN   6  -3.066  -6.675  -0.014
   42    H    PHE   7           H        PHE   7  -0.681  -1.108  -0.789
   43    HA   PHE   7           HA       PHE   7  -0.054  -1.116  -3.540
   44    HB2  PHE   7           1HB      PHE   7  -2.124  -0.149  -2.004
   45    HB3  PHE   7           2HB      PHE   7  -1.343   1.327  -2.560
   46    HD1  PHE   7           HD2      PHE   7  -2.191  -1.991  -4.053
   47    HD2  PHE   7           HD1      PHE   7  -2.322   2.248  -4.408
   48    HE1  PHE   7           HE2      PHE   7  -3.331  -2.211  -6.222
   49    HE2  PHE   7           HE1      PHE   7  -3.464   2.035  -6.577
   50    HZ   PHE   7           HZ       PHE   7  -3.969  -0.197  -7.487
   51    H    PHE   8           H        PHE   8   1.045   0.836  -0.854
   52    HA   PHE   8           HA       PHE   8   2.241   2.906  -2.372
   53    HB2  PHE   8           1HB      PHE   8   2.147   2.080   0.428
   54    HB3  PHE   8           2HB      PHE   8   3.703   2.769  -0.027
   55    HD1  PHE   8           HD1      PHE   8   3.237   4.910  -1.752
   56    HD2  PHE   8           HD2      PHE   8   0.791   3.592   1.473
   57    HE1  PHE   8           HE1      PHE   8   2.294   7.172  -1.547
   58    HE2  PHE   8           HE2      PHE   8  -0.157   5.852   1.682
   59    HZ   PHE   8           HZ       PHE   8   0.593   7.647   0.171
   60    H    GLY   9           H        GLY   9   3.264  -0.290  -1.450
   61    HA2  GLY   9           1HA      GLY   9   6.053   0.122  -1.965
   62    HA3  GLY   9           2HA      GLY   9   5.250  -1.426  -1.753
   63    H    LEU  10           H        LEU  10   3.302  -0.636  -3.925
   64    HA   LEU  10           HA       LEU  10   4.691  -1.870  -6.073
   65    HB2  LEU  10           1HB      LEU  10   2.025  -1.277  -5.413
   66    HB3  LEU  10           2HB      LEU  10   2.341  -0.468  -6.946
   67    HG   LEU  10           HG       LEU  10   3.140  -3.317  -6.713
   68   HD11  LEU  10          1HD1      LEU  10   0.276  -2.436  -7.037
   69   HD12  LEU  10          2HD1      LEU  10   0.942  -3.303  -5.655
   70   HD13  LEU  10          3HD1      LEU  10   0.885  -4.079  -7.237
   71   HD21  LEU  10          3HD2      LEU  10   1.931  -1.593  -8.869
   72   HD22  LEU  10          1HD2      LEU  10   2.306  -3.306  -9.051
   73   HD23  LEU  10          2HD2      LEU  10   3.602  -2.146  -8.757
   74    H    MET  11           H        MET  11   3.867   1.457  -5.286
   75    HA   MET  11           HA       MET  11   4.640   2.551  -7.800
   76    HB2  MET  11           1HB      MET  11   3.139   3.583  -5.960
   77    HB3  MET  11           2HB      MET  11   4.651   4.090  -5.218
   78    HG2  MET  11           1HG      MET  11   4.794   5.824  -6.576
   79    HG3  MET  11           2HG      MET  11   4.673   4.780  -7.990
   80    HE1  MET  11           3HE      MET  11   3.818   6.603  -9.214
   81    HE2  MET  11           1HE      MET  11   2.518   5.549  -9.772
   82    HE3  MET  11           2HE      MET  11   2.153   7.185  -9.222
  Start of MODEL   12
    1    H1   THR   1           H        THR   1  -6.128   3.197   6.567
    2    HA   THR   1           HA       THR   1  -4.614   3.042   4.047
    3    HB   THR   1           HB       THR   1  -4.172   5.229   5.098
    4    HG1  THR   1           HG1      THR   1  -2.169   5.009   4.451
    5   HG21  THR   1          3HG2      THR   1  -3.348   5.502   7.247
    6   HG22  THR   1          1HG2      THR   1  -2.786   3.834   7.355
    7   HG23  THR   1          2HG2      THR   1  -4.510   4.195   7.467
    8    H    GLY   2           H        GLY   2  -5.725   0.956   5.776
    9    HA2  GLY   2           1HA      GLY   2  -3.364  -0.194   7.061
   10    HA3  GLY   2           2HA      GLY   2  -5.007  -0.810   7.165
   11    H    LYS   3           H        LYS   3  -5.852  -1.390   4.800
   12    HA   LYS   3           HA       LYS   3  -4.123  -3.523   3.925
   13    HB2  LYS   3           1HB      LYS   3  -6.833  -3.226   4.035
   14    HB3  LYS   3           2HB      LYS   3  -6.527  -2.932   2.329
   15    HG2  LYS   3           1HG      LYS   3  -5.395  -5.078   2.147
   16    HG3  LYS   3           2HG      LYS   3  -5.660  -5.372   3.867
   17    HD2  LYS   3           1HD      LYS   3  -7.396  -6.549   2.873
   18    HD3  LYS   3           2HD      LYS   3  -8.160  -5.015   3.296
   19    HE2  LYS   3           1HE      LYS   3  -7.749  -4.224   0.988
   20    HE3  LYS   3           2HE      LYS   3  -7.092  -5.810   0.589
   21    HZ1  LYS   3           3HZ      LYS   3  -9.561  -5.279   0.090
   22    HZ2  LYS   3           1HZ      LYS   3  -9.793  -5.608   1.734
   23    HZ3  LYS   3           2HZ      LYS   3  -9.147  -6.795   0.717
   24    H    ALA   4           H        ALA   4  -4.781  -0.297   2.968
   25    HA   ALA   4           HA       ALA   4  -3.837  -0.669   0.246
   26    HB1  ALA   4           3HB      ALA   4  -4.547   1.481  -0.185
   27    HB2  ALA   4           1HB      ALA   4  -5.665   0.986   1.086
   28    HB3  ALA   4           2HB      ALA   4  -4.286   2.015   1.475
   29    H    SER   5           H        SER   5  -2.096  -1.166   2.629
   30    HA   SER   5           HA       SER   5  -0.107   0.939   2.495
   31    HB2  SER   5           1HB      SER   5  -0.719  -0.380   4.603
   32    HB3  SER   5           2HB      SER   5   0.194  -1.714   3.900
   33    HG   SER   5           HG       SER   5   1.754  -0.708   4.947
   34    H    GLN   6           H        GLN   6  -0.480  -2.412   1.448
   35    HA   GLN   6           HA       GLN   6   2.149  -2.755   0.474
   36    HB2  GLN   6           1HB      GLN   6   1.250  -4.690  -0.727
   37    HB3  GLN   6           2HB      GLN   6   0.667  -4.647   0.932
   38    HG2  GLN   6           1HG      GLN   6  -1.446  -3.654   0.116
   39    HG3  GLN   6           2HG      GLN   6  -0.857  -3.840  -1.534
   40   HE21  GLN   6          2HE2      GLN   6  -3.103  -5.024  -1.231
   41   HE22  GLN   6          1HE2      GLN   6  -2.963  -6.730  -0.997
   42    H    PHE   7           H        PHE   7  -0.659  -1.199  -0.820
   43    HA   PHE   7           HA       PHE   7   0.018  -1.264  -3.559
   44    HB2  PHE   7           1HB      PHE   7  -1.997  -0.051  -1.909
   45    HB3  PHE   7           2HB      PHE   7  -1.368   1.147  -3.037
   46    HD1  PHE   7           HD1      PHE   7  -2.185  -2.493  -3.220
   47    HD2  PHE   7           HD2      PHE   7  -2.679   1.389  -4.894
   48    HE1  PHE   7           HE1      PHE   7  -3.588  -3.445  -5.003
   49    HE2  PHE   7           HE2      PHE   7  -4.083   0.444  -6.680
   50    HZ   PHE   7           HZ       PHE   7  -4.540  -1.975  -6.736
   51    H    PHE   8           H        PHE   8   0.987   0.812  -0.916
   52    HA   PHE   8           HA       PHE   8   2.123   2.885  -2.478
   53    HB2  PHE   8           1HB      PHE   8   1.939   2.187   0.329
   54    HB3  PHE   8           2HB      PHE   8   3.541   2.799  -0.066
   55    HD1  PHE   8           HD1      PHE   8  -0.067   3.585  -0.186
   56    HD2  PHE   8           HD2      PHE   8   3.906   5.088  -0.464
   57    HE1  PHE   8           HE1      PHE   8  -0.935   5.886  -0.112
   58    HE2  PHE   8           HE2      PHE   8   3.044   7.391  -0.390
   59    HZ   PHE   8           HZ       PHE   8   0.621   7.793  -0.213
   60    H    GLY   9           H        GLY   9   3.261  -0.236  -1.441
   61    HA2  GLY   9           1HA      GLY   9   6.040   0.276  -1.921
   62    HA3  GLY   9           2HA      GLY   9   5.298  -1.297  -1.674
   63    H    LEU  10           H        LEU  10   3.358  -0.654  -3.902
   64    HA   LEU  10           HA       LEU  10   4.835  -1.895  -5.987
   65    HB2  LEU  10           1HB      LEU  10   2.106  -1.212  -5.434
   66    HB3  LEU  10           2HB      LEU  10   2.516  -0.729  -7.078
   67    HG   LEU  10           HG       LEU  10   1.500  -2.973  -6.947
   68   HD11  LEU  10          1HD1      LEU  10   2.937  -3.976  -8.501
   69   HD12  LEU  10          2HD1      LEU  10   4.369  -3.234  -7.791
   70   HD13  LEU  10          3HD1      LEU  10   3.216  -2.245  -8.687
   71   HD21  LEU  10          3HD2      LEU  10   3.805  -4.396  -5.999
   72   HD22  LEU  10          1HD2      LEU  10   2.132  -4.478  -5.444
   73   HD23  LEU  10          2HD2      LEU  10   3.231  -3.279  -4.761
   74    H    MET  11           H        MET  11   3.860   1.418  -5.319
   75    HA   MET  11           HA       MET  11   4.769   2.411  -7.863
   76    HB2  MET  11           1HB      MET  11   3.627   3.609  -5.382
   77    HB3  MET  11           2HB      MET  11   4.519   4.658  -6.476
   78    HG2  MET  11           1HG      MET  11   2.995   3.723  -8.307
   79    HG3  MET  11           2HG      MET  11   1.993   3.133  -6.982
   80    HE1  MET  11           3HE      MET  11   1.554   6.323  -4.934
   81    HE2  MET  11           1HE      MET  11   0.206   5.347  -5.517
   82    HE3  MET  11           2HE      MET  11   1.687   4.564  -4.967
  Start of MODEL   13
    1    H1   THR   1           H        THR   1  -6.745   2.169   7.208
    2    HA   THR   1           HA       THR   1  -6.264   2.571   4.497
    3    HB   THR   1           HB       THR   1  -4.445   4.420   5.979
    4    HG1  THR   1           HG1      THR   1  -6.237   5.485   6.519
    5   HG21  THR   1          3HG2      THR   1  -5.578   4.721   3.215
    6   HG22  THR   1          1HG2      THR   1  -4.215   3.648   3.536
    7   HG23  THR   1          2HG2      THR   1  -4.078   5.374   3.873
    8    H    GLY   2           H        GLY   2  -5.953   0.488   6.319
    9    HA2  GLY   2           1HA      GLY   2  -3.059   0.246   6.742
   10    HA3  GLY   2           2HA      GLY   2  -4.293  -0.801   7.427
   11    H    LYS   3           H        LYS   3  -5.679  -1.144   4.874
   12    HA   LYS   3           HA       LYS   3  -4.098  -3.336   3.887
   13    HB2  LYS   3           1HB      LYS   3  -6.860  -2.331   3.509
   14    HB3  LYS   3           2HB      LYS   3  -6.173  -3.238   2.167
   15    HG2  LYS   3           1HG      LYS   3  -5.544  -4.780   4.362
   16    HG3  LYS   3           2HG      LYS   3  -7.156  -4.165   4.735
   17    HD2  LYS   3           1HD      LYS   3  -7.774  -5.986   3.528
   18    HD3  LYS   3           2HD      LYS   3  -7.556  -4.858   2.188
   19    HE2  LYS   3           1HE      LYS   3  -6.430  -6.852   1.582
   20    HE3  LYS   3           2HE      LYS   3  -5.184  -5.688   2.025
   21    HZ1  LYS   3           3HZ      LYS   3  -4.505  -7.562   3.133
   22    HZ2  LYS   3           1HZ      LYS   3  -6.078  -8.086   3.471
   23    HZ3  LYS   3           2HZ      LYS   3  -5.411  -6.797   4.339
   24    H    ALA   4           H        ALA   4  -4.576  -0.048   3.037
   25    HA   ALA   4           HA       ALA   4  -3.709  -0.394   0.286
   26    HB1  ALA   4           3HB      ALA   4  -3.726   2.345   1.138
   27    HB2  ALA   4           1HB      ALA   4  -4.748   1.536  -0.050
   28    HB3  ALA   4           2HB      ALA   4  -5.208   1.540   1.654
   29    H    SER   5           H        SER   5  -1.956  -1.066   2.618
   30    HA   SER   5           HA       SER   5   0.154   0.918   2.501
   31    HB2  SER   5           1HB      SER   5  -0.112  -1.716   3.958
   32    HB3  SER   5           2HB      SER   5   1.347  -0.728   4.018
   33    HG   SER   5           HG       SER   5   0.117   0.941   4.925
   34    H    GLN   6           H        GLN   6  -0.441  -2.371   1.368
   35    HA   GLN   6           HA       GLN   6   2.144  -2.838   0.327
   36    HB2  GLN   6           1HB      GLN   6   1.001  -4.625  -1.015
   37    HB3  GLN   6           2HB      GLN   6   0.716  -4.712   0.718
   38    HG2  GLN   6           1HG      GLN   6  -1.480  -3.901   0.504
   39    HG3  GLN   6           2HG      GLN   6  -1.205  -3.372  -1.155
   40   HE21  GLN   6          2HE2      GLN   6  -1.027  -6.332   0.795
   41   HE22  GLN   6          1HE2      GLN   6  -1.735  -7.363  -0.397
   42    H    PHE   7           H        PHE   7  -0.598  -1.091  -0.860
   43    HA   PHE   7           HA       PHE   7   0.011  -1.121  -3.615
   44    HB2  PHE   7           1HB      PHE   7  -1.797   0.341  -1.834
   45    HB3  PHE   7           2HB      PHE   7  -1.241   1.300  -3.202
   46    HD1  PHE   7           HD2      PHE   7  -1.719   0.567  -5.503
   47    HD2  PHE   7           HD1      PHE   7  -3.310  -1.469  -2.121
   48    HE1  PHE   7           HE2      PHE   7  -3.377  -0.533  -6.950
   49    HE2  PHE   7           HE1      PHE   7  -4.970  -2.574  -3.563
   50    HZ   PHE   7           HZ       PHE   7  -5.006  -2.106  -5.980
   51    H    PHE   8           H        PHE   8   1.158   0.826  -0.945
   52    HA   PHE   8           HA       PHE   8   2.376   2.870  -2.481
   53    HB2  PHE   8           1HB      PHE   8   2.175   2.141   0.302
   54    HB3  PHE   8           2HB      PHE   8   3.831   2.594  -0.086
   55    HD1  PHE   8           HD1      PHE   8   0.375   3.745   0.163
   56    HD2  PHE   8           HD2      PHE   8   4.377   4.847  -0.774
   57    HE1  PHE   8           HE1      PHE   8  -0.254   6.120   0.290
   58    HE2  PHE   8           HE2      PHE   8   3.756   7.224  -0.648
   59    HZ   PHE   8           HZ       PHE   8   1.438   7.864  -0.114
   60    H    GLY   9           H        GLY   9   3.355  -0.337  -1.550
   61    HA2  GLY   9           1HA      GLY   9   6.147   0.029  -2.084
   62    HA3  GLY   9           2HA      GLY   9   5.321  -1.506  -1.859
   63    H    LEU  10           H        LEU  10   3.372  -0.694  -4.023
   64    HA   LEU  10           HA       LEU  10   4.727  -1.961  -6.174
   65    HB2  LEU  10           1HB      LEU  10   2.077  -1.332  -5.499
   66    HB3  LEU  10           2HB      LEU  10   2.392  -0.519  -7.031
   67    HG   LEU  10           HG       LEU  10   1.371  -2.735  -7.325
   68   HD11  LEU  10          1HD1      LEU  10   3.520  -1.654  -8.685
   69   HD12  LEU  10          2HD1      LEU  10   2.464  -2.948  -9.250
   70   HD13  LEU  10          3HD1      LEU  10   3.978  -3.339  -8.435
   71   HD21  LEU  10          3HD2      LEU  10   3.942  -3.899  -6.289
   72   HD22  LEU  10          1HD2      LEU  10   2.448  -4.739  -6.706
   73   HD23  LEU  10          2HD2      LEU  10   2.509  -3.705  -5.278
   74    H    MET  11           H        MET  11   3.960   1.383  -5.399
   75    HA   MET  11           HA       MET  11   4.859   2.393  -7.938
   76    HB2  MET  11           1HB      MET  11   3.781   3.540  -5.426
   77    HB3  MET  11           2HB      MET  11   4.818   4.590  -6.383
   78    HG2  MET  11           1HG      MET  11   3.208   4.976  -7.852
   79    HG3  MET  11           2HG      MET  11   2.883   3.256  -8.047
   80    HE1  MET  11           3HE      MET  11   0.090   5.974  -7.350
   81    HE2  MET  11           1HE      MET  11   0.954   6.518  -5.911
   82    HE3  MET  11           2HE      MET  11   1.807   6.368  -7.447
  Start of MODEL   14
    1    H1   THR   1           H        THR   1  -7.692   1.787   6.336
    2    HA   THR   1           HA       THR   1  -5.831   3.314   4.708
    3    HB   THR   1           HB       THR   1  -6.840   4.455   6.600
    4    HG1  THR   1           HG1      THR   1  -4.996   5.422   7.099
    5   HG21  THR   1          3HG2      THR   1  -5.403   3.090   8.721
    6   HG22  THR   1          1HG2      THR   1  -6.557   2.028   7.915
    7   HG23  THR   1          2HG2      THR   1  -7.104   3.546   8.625
    8    H    GLY   2           H        GLY   2  -5.868   0.474   6.723
    9    HA2  GLY   2           1HA      GLY   2  -2.954   0.326   6.792
   10    HA3  GLY   2           2HA      GLY   2  -4.072  -0.771   7.590
   11    H    LYS   3           H        LYS   3  -5.589  -0.929   4.952
   12    HA   LYS   3           HA       LYS   3  -4.118  -3.199   3.938
   13    HB2  LYS   3           1HB      LYS   3  -6.840  -2.368   3.993
   14    HB3  LYS   3           2HB      LYS   3  -6.380  -2.583   2.309
   15    HG2  LYS   3           1HG      LYS   3  -5.858  -4.669   4.405
   16    HG3  LYS   3           2HG      LYS   3  -7.360  -4.593   3.481
   17    HD2  LYS   3           1HD      LYS   3  -5.303  -4.391   1.593
   18    HD3  LYS   3           2HD      LYS   3  -4.792  -5.652   2.719
   19    HE2  LYS   3           1HE      LYS   3  -6.085  -7.014   1.504
   20    HE3  LYS   3           2HE      LYS   3  -7.438  -6.244   2.330
   21    HZ1  LYS   3           3HZ      LYS   3  -8.025  -5.106   0.495
   22    HZ2  LYS   3           1HZ      LYS   3  -7.208  -6.349  -0.310
   23    HZ3  LYS   3           2HZ      LYS   3  -6.433  -4.873  -0.027
   24    H    ALA   4           H        ALA   4  -4.498   0.115   3.149
   25    HA   ALA   4           HA       ALA   4  -3.698  -0.216   0.377
   26    HB1  ALA   4           3HB      ALA   4  -3.618   2.507   1.333
   27    HB2  ALA   4           1HB      ALA   4  -4.621   1.783   0.076
   28    HB3  ALA   4           2HB      ALA   4  -5.137   1.721   1.762
   29    H    SER   5           H        SER   5  -1.924  -0.987   2.660
   30    HA   SER   5           HA       SER   5   0.251   0.924   2.533
   31    HB2  SER   5           1HB      SER   5   0.004  -0.066   4.666
   32    HB3  SER   5           2HB      SER   5  -0.154  -1.685   3.987
   33    HG   SER   5           HG       SER   5   1.934  -1.866   4.013
   34    H    GLN   6           H        GLN   6  -0.481  -2.323   1.359
   35    HA   GLN   6           HA       GLN   6   2.062  -2.873   0.265
   36    HB2  GLN   6           1HB      GLN   6   0.865  -4.601  -1.065
   37    HB3  GLN   6           2HB      GLN   6   0.506  -4.669   0.656
   38    HG2  GLN   6           1HG      GLN   6  -1.659  -4.089   0.373
   39    HG3  GLN   6           2HG      GLN   6  -1.316  -3.050  -1.009
   40   HE21  GLN   6          2HE2      GLN   6  -1.075  -3.998  -3.067
   41   HE22  GLN   6          1HE2      GLN   6  -1.746  -5.551  -3.420
   42    H    PHE   7           H        PHE   7  -0.615  -0.981  -0.846
   43    HA   PHE   7           HA       PHE   7  -0.043  -0.973  -3.608
   44    HB2  PHE   7           1HB      PHE   7  -1.944   0.217  -1.902
   45    HB3  PHE   7           2HB      PHE   7  -1.154   1.542  -2.749
   46    HD1  PHE   7           HD1      PHE   7  -0.618   0.478  -5.372
   47    HD2  PHE   7           HD2      PHE   7  -4.008  -0.104  -2.865
   48    HE1  PHE   7           HE1      PHE   7  -2.007   0.039  -7.356
   49    HE2  PHE   7           HE2      PHE   7  -5.401  -0.544  -4.844
   50    HZ   PHE   7           HZ       PHE   7  -4.401  -0.474  -7.093
   51    H    PHE   8           H        PHE   8   1.221   0.859  -0.909
   52    HA   PHE   8           HA       PHE   8   2.509   2.884  -2.415
   53    HB2  PHE   8           1HB      PHE   8   2.053   2.472   0.242
   54    HB3  PHE   8           2HB      PHE   8   3.772   2.113   0.133
   55    HD1  PHE   8           HD2      PHE   8   5.369   3.833  -0.454
   56    HD2  PHE   8           HD1      PHE   8   1.211   4.696  -0.171
   57    HE1  PHE   8           HE2      PHE   8   5.875   6.241  -0.418
   58    HE2  PHE   8           HE1      PHE   8   1.709   7.105  -0.136
   59    HZ   PHE   8           HZ       PHE   8   4.044   7.879  -0.259
   60    H    GLY   9           H        GLY   9   3.358  -0.383  -1.571
   61    HA2  GLY   9           1HA      GLY   9   6.157  -0.127  -2.133
   62    HA3  GLY   9           2HA      GLY   9   5.267  -1.629  -1.933
   63    H    LEU  10           H        LEU  10   3.329  -0.683  -4.052
   64    HA   LEU  10           HA       LEU  10   4.601  -1.957  -6.249
   65    HB2  LEU  10           1HB      LEU  10   2.007  -1.376  -5.524
   66    HB3  LEU  10           2HB      LEU  10   2.277  -0.331  -6.917
   67    HG   LEU  10           HG       LEU  10   3.070  -3.160  -7.236
   68   HD11  LEU  10          1HD1      LEU  10   0.528  -3.479  -7.897
   69   HD12  LEU  10          2HD1      LEU  10   0.301  -2.303  -6.604
   70   HD13  LEU  10          3HD1      LEU  10   1.120  -3.829  -6.272
   71   HD21  LEU  10          3HD2      LEU  10   3.039  -2.524  -9.360
   72   HD22  LEU  10          1HD2      LEU  10   2.566  -0.903  -8.850
   73   HD23  LEU  10          2HD2      LEU  10   1.331  -2.101  -9.239
   74    H    MET  11           H        MET  11   3.990   1.398  -5.387
   75    HA   MET  11           HA       MET  11   4.793   2.484  -7.897
   76    HB2  MET  11           1HB      MET  11   3.768   3.467  -5.411
   77    HB3  MET  11           2HB      MET  11   5.191   4.403  -5.848
   78    HG2  MET  11           1HG      MET  11   3.524   4.042  -8.147
   79    HG3  MET  11           2HG      MET  11   2.575   4.685  -6.810
   80    HE1  MET  11           3HE      MET  11   2.792   8.046  -7.928
   81    HE2  MET  11           1HE      MET  11   2.987   7.030  -9.357
   82    HE3  MET  11           2HE      MET  11   1.951   6.498  -8.033
  Start of MODEL   15
    1    H1   THR   1           H        THR   1  -7.836   2.249   6.432
    2    HA   THR   1           HA       THR   1  -6.058   3.008   4.416
    3    HB   THR   1           HB       THR   1  -5.016   3.650   7.045
    4    HG1  THR   1           HG1      THR   1  -6.895   4.783   7.751
    5   HG21  THR   1          3HG2      THR   1  -5.728   5.979   6.183
    6   HG22  THR   1          1HG2      THR   1  -6.120   5.137   4.684
    7   HG23  THR   1          2HG2      THR   1  -4.471   5.108   5.307
    8    H    GLY   2           H        GLY   2  -5.752   0.642   6.970
    9    HA2  GLY   2           1HA      GLY   2  -2.911   0.358   6.784
   10    HA3  GLY   2           2HA      GLY   2  -4.018  -0.747   7.584
   11    H    LYS   3           H        LYS   3  -5.575  -0.890   4.978
   12    HA   LYS   3           HA       LYS   3  -4.137  -3.155   3.922
   13    HB2  LYS   3           1HB      LYS   3  -6.096  -3.586   2.617
   14    HB3  LYS   3           2HB      LYS   3  -6.626  -3.103   4.223
   15    HG2  LYS   3           1HG      LYS   3  -6.568  -0.716   2.894
   16    HG3  LYS   3           2HG      LYS   3  -7.083  -1.840   1.634
   17    HD2  LYS   3           1HD      LYS   3  -8.357  -1.846   4.351
   18    HD3  LYS   3           2HD      LYS   3  -8.893  -0.736   3.087
   19    HE2  LYS   3           1HE      LYS   3  -8.617  -3.536   2.243
   20    HE3  LYS   3           2HE      LYS   3  -9.859  -3.251   3.459
   21    HZ1  LYS   3           3HZ      LYS   3  -9.645  -2.051   0.761
   22    HZ2  LYS   3           1HZ      LYS   3 -10.663  -1.416   1.954
   23    HZ3  LYS   3           2HZ      LYS   3 -10.904  -2.991   1.389
   24    H    ALA   4           H        ALA   4  -4.454   0.174   3.169
   25    HA   ALA   4           HA       ALA   4  -3.655  -0.141   0.395
   26    HB1  ALA   4           3HB      ALA   4  -3.660   2.533   1.666
   27    HB2  ALA   4           1HB      ALA   4  -4.261   2.022   0.087
   28    HB3  ALA   4           2HB      ALA   4  -5.208   1.698   1.540
   29    H    SER   5           H        SER   5  -1.900  -0.969   2.674
   30    HA   SER   5           HA       SER   5   0.310   0.903   2.572
   31    HB2  SER   5           1HB      SER   5  -0.529  -1.201   4.324
   32    HB3  SER   5           2HB      SER   5   1.114  -1.539   3.778
   33    HG   SER   5           HG       SER   5   0.826  -0.139   5.706
   34    H    GLN   6           H        GLN   6  -0.480  -2.317   1.361
   35    HA   GLN   6           HA       GLN   6   2.060  -2.887   0.258
   36    HB2  GLN   6           1HB      GLN   6   0.918  -4.654  -0.984
   37    HB3  GLN   6           2HB      GLN   6   0.389  -4.628   0.692
   38    HG2  GLN   6           1HG      GLN   6  -1.437  -2.993  -0.523
   39    HG3  GLN   6           2HG      GLN   6  -1.125  -4.210  -1.760
   40   HE21  GLN   6          2HE2      GLN   6  -2.473  -5.843  -1.693
   41   HE22  GLN   6          1HE2      GLN   6  -3.217  -6.502  -0.280
   42    H    PHE   7           H        PHE   7  -0.612  -0.973  -0.827
   43    HA   PHE   7           HA       PHE   7  -0.059  -0.962  -3.594
   44    HB2  PHE   7           1HB      PHE   7  -1.862   0.365  -1.797
   45    HB3  PHE   7           2HB      PHE   7  -1.150   1.551  -2.886
   46    HD1  PHE   7           HD2      PHE   7  -2.431  -1.946  -3.177
   47    HD2  PHE   7           HD1      PHE   7  -2.434   2.022  -4.715
   48    HE1  PHE   7           HE2      PHE   7  -3.997  -2.636  -4.944
   49    HE2  PHE   7           HE1      PHE   7  -4.001   1.339  -6.484
   50    HZ   PHE   7           HZ       PHE   7  -4.784  -0.993  -6.601
   51    H    PHE   8           H        PHE   8   1.238   0.852  -0.901
   52    HA   PHE   8           HA       PHE   8   2.529   2.872  -2.411
   53    HB2  PHE   8           1HB      PHE   8   2.440   2.004   0.373
   54    HB3  PHE   8           2HB      PHE   8   4.037   2.573  -0.102
   55    HD1  PHE   8           HD2      PHE   8   0.447   3.541  -0.206
   56    HD2  PHE   8           HD1      PHE   8   4.500   4.837  -0.102
   57    HE1  PHE   8           HE2      PHE   8  -0.307   5.867   0.062
   58    HE2  PHE   8           HE1      PHE   8   3.752   7.166   0.167
   59    HZ   PHE   8           HZ       PHE   8   1.346   7.684   0.248
   60    H    GLY   9           H        GLY   9   3.360  -0.403  -1.581
   61    HA2  GLY   9           1HA      GLY   9   6.157  -0.166  -2.163
   62    HA3  GLY   9           2HA      GLY   9   5.257  -1.662  -1.960
   63    H    LEU  10           H        LEU  10   3.311  -0.697  -4.062
   64    HA   LEU  10           HA       LEU  10   4.557  -1.973  -6.271
   65    HB2  LEU  10           1HB      LEU  10   1.991  -1.490  -5.540
   66    HB3  LEU  10           2HB      LEU  10   2.207  -0.291  -6.813
   67    HG   LEU  10           HG       LEU  10   2.794  -3.215  -7.220
   68   HD11  LEU  10          1HD1      LEU  10   0.349  -2.215  -8.424
   69   HD12  LEU  10          2HD1      LEU  10   0.294  -2.201  -6.662
   70   HD13  LEU  10          3HD1      LEU  10   0.643  -3.701  -7.521
   71   HD21  LEU  10          3HD2      LEU  10   3.706  -2.320  -9.064
   72   HD22  LEU  10          1HD2      LEU  10   2.872  -0.780  -8.850
   73   HD23  LEU  10          2HD2      LEU  10   2.035  -2.140  -9.602
   74    H    MET  11           H        MET  11   3.977   1.383  -5.397
   75    HA   MET  11           HA       MET  11   4.925   2.389  -7.931
   76    HB2  MET  11           1HB      MET  11   4.671   4.609  -6.878
   77    HB3  MET  11           2HB      MET  11   3.213   3.634  -6.744
   78    HG2  MET  11           1HG      MET  11   3.483   3.304  -4.471
   79    HG3  MET  11           2HG      MET  11   5.206   3.671  -4.522
   80    HE1  MET  11           3HE      MET  11   2.191   5.945  -2.799
   81    HE2  MET  11           1HE      MET  11   1.526   5.971  -4.432
   82    HE3  MET  11           2HE      MET  11   1.980   4.437  -3.690
  Start of MODEL   16
    1    H1   THR   1           H        THR   1  -6.659   2.219   7.160
    2    HA   THR   1           HA       THR   1  -6.212   2.639   4.391
    3    HB   THR   1           HB       THR   1  -6.058   4.999   5.175
    4    HG1  THR   1           HG1      THR   1  -4.716   3.980   3.415
    5   HG21  THR   1          3HG2      THR   1  -4.923   5.545   7.013
    6   HG22  THR   1          1HG2      THR   1  -3.445   4.863   6.337
    7   HG23  THR   1          2HG2      THR   1  -4.546   3.840   7.260
    8    H    GLY   2           H        GLY   2  -5.900   0.572   6.399
    9    HA2  GLY   2           1HA      GLY   2  -3.013   0.278   6.711
   10    HA3  GLY   2           2HA      GLY   2  -4.247  -0.778   7.383
   11    H    LYS   3           H        LYS   3  -5.684  -1.251   4.976
   12    HA   LYS   3           HA       LYS   3  -4.099  -3.365   3.901
   13    HB2  LYS   3           1HB      LYS   3  -6.853  -2.560   3.860
   14    HB3  LYS   3           2HB      LYS   3  -6.325  -2.899   2.217
   15    HG2  LYS   3           1HG      LYS   3  -6.016  -5.114   2.622
   16    HG3  LYS   3           2HG      LYS   3  -5.609  -4.862   4.320
   17    HD2  LYS   3           1HD      LYS   3  -7.812  -4.801   4.980
   18    HD3  LYS   3           2HD      LYS   3  -8.382  -4.268   3.396
   19    HE2  LYS   3           1HE      LYS   3  -7.125  -6.878   3.280
   20    HE3  LYS   3           2HE      LYS   3  -8.472  -6.848   4.416
   21    HZ1  LYS   3           3HZ      LYS   3  -8.992  -7.403   2.012
   22    HZ2  LYS   3           1HZ      LYS   3  -8.727  -5.766   1.676
   23    HZ3  LYS   3           2HZ      LYS   3  -9.955  -6.222   2.745
   24    H    ALA   4           H        ALA   4  -4.573  -0.070   3.077
   25    HA   ALA   4           HA       ALA   4  -3.724  -0.400   0.319
   26    HB1  ALA   4           3HB      ALA   4  -5.311   1.284   0.503
   27    HB2  ALA   4           1HB      ALA   4  -4.595   1.936   1.977
   28    HB3  ALA   4           2HB      ALA   4  -3.793   2.179   0.425
   29    H    SER   5           H        SER   5  -1.959  -1.091   2.636
   30    HA   SER   5           HA       SER   5   0.154   0.889   2.520
   31    HB2  SER   5           1HB      SER   5  -0.520  -0.525   4.580
   32    HB3  SER   5           2HB      SER   5   0.394  -1.821   3.810
   33    HG   SER   5           HG       SER   5   2.116  -0.099   3.682
   34    H    GLN   6           H        GLN   6  -0.455  -2.391   1.369
   35    HA   GLN   6           HA       GLN   6   2.121  -2.863   0.313
   36    HB2  GLN   6           1HB      GLN   6   1.068  -4.689  -0.936
   37    HB3  GLN   6           2HB      GLN   6   0.539  -4.674   0.741
   38    HG2  GLN   6           1HG      GLN   6  -1.353  -3.129  -0.505
   39    HG3  GLN   6           2HG      GLN   6  -0.994  -4.365  -1.711
   40   HE21  GLN   6          2HE2      GLN   6  -2.786  -5.585  -1.579
   41   HE22  GLN   6          1HE2      GLN   6  -3.305  -6.414  -0.155
   42    H    PHE   7           H        PHE   7  -0.613  -1.087  -0.851
   43    HA   PHE   7           HA       PHE   7  -0.009  -1.093  -3.607
   44    HB2  PHE   7           1HB      PHE   7  -1.630   0.683  -1.817
   45    HB3  PHE   7           2HB      PHE   7  -1.329   1.164  -3.483
   46    HD1  PHE   7           HD1      PHE   7  -2.550  -1.740  -1.496
   47    HD2  PHE   7           HD2      PHE   7  -2.781   0.467  -5.129
   48    HE1  PHE   7           HE1      PHE   7  -4.419  -3.159  -2.237
   49    HE2  PHE   7           HE2      PHE   7  -4.650  -0.948  -5.875
   50    HZ   PHE   7           HZ       PHE   7  -5.472  -2.764  -4.428
   51    H    PHE   8           H        PHE   8   1.155   0.819  -0.919
   52    HA   PHE   8           HA       PHE   8   2.382   2.873  -2.438
   53    HB2  PHE   8           1HB      PHE   8   2.826   1.859   0.368
   54    HB3  PHE   8           2HB      PHE   8   3.742   3.204  -0.304
   55    HD1  PHE   8           HD2      PHE   8   1.841   4.771  -1.742
   56    HD2  PHE   8           HD1      PHE   8   1.330   2.651   1.914
   57    HE1  PHE   8           HE2      PHE   8   0.038   6.318  -1.101
   58    HE2  PHE   8           HE1      PHE   8  -0.474   4.194   2.560
   59    HZ   PHE   8           HZ       PHE   8  -1.122   6.031   1.053
   60    H    GLY   9           H        GLY   9   3.344  -0.349  -1.541
   61    HA2  GLY   9           1HA      GLY   9   6.137   0.006  -2.076
   62    HA3  GLY   9           2HA      GLY   9   5.303  -1.526  -1.865
   63    H    LEU  10           H        LEU  10   3.355  -0.682  -4.018
   64    HA   LEU  10           HA       LEU  10   4.700  -1.933  -6.183
   65    HB2  LEU  10           1HB      LEU  10   2.040  -1.179  -5.516
   66    HB3  LEU  10           2HB      LEU  10   2.409  -0.537  -7.115
   67    HG   LEU  10           HG       LEU  10   3.284  -3.232  -7.059
   68   HD11  LEU  10          1HD1      LEU  10   1.929  -4.055  -5.443
   69   HD12  LEU  10          2HD1      LEU  10   0.762  -4.053  -6.765
   70   HD13  LEU  10          3HD1      LEU  10   0.765  -2.738  -5.589
   71   HD21  LEU  10          3HD2      LEU  10   2.647  -2.472  -9.116
   72   HD22  LEU  10          1HD2      LEU  10   1.261  -1.582  -8.483
   73   HD23  LEU  10          2HD2      LEU  10   1.181  -3.336  -8.651
   74    H    MET  11           H        MET  11   3.953   1.406  -5.372
   75    HA   MET  11           HA       MET  11   4.802   2.461  -7.897
   76    HB2  MET  11           1HB      MET  11   3.672   3.488  -5.421
   77    HB3  MET  11           2HB      MET  11   4.937   4.536  -6.050
   78    HG2  MET  11           1HG      MET  11   2.937   5.337  -6.967
   79    HG3  MET  11           2HG      MET  11   3.732   4.450  -8.265
   80    HE1  MET  11           3HE      MET  11   2.363   3.773  -9.776
   81    HE2  MET  11           1HE      MET  11   0.992   2.669  -9.662
   82    HE3  MET  11           2HE      MET  11   0.758   4.397  -9.395
  Start of MODEL   17
    1    H1   THR   1           H        THR   1  -7.054   2.589   5.939
    2    HA   THR   1           HA       THR   1  -4.927   3.226   4.051
    3    HB   THR   1           HB       THR   1  -4.776   3.681   7.018
    4    HG1  THR   1           HG1      THR   1  -6.345   5.078   6.852
    5   HG21  THR   1          3HG2      THR   1  -2.760   4.356   6.223
    6   HG22  THR   1          1HG2      THR   1  -3.656   5.827   5.852
    7   HG23  THR   1          2HG2      THR   1  -3.372   4.627   4.592
    8    H    GLY   2           H        GLY   2  -5.680   0.945   6.581
    9    HA2  GLY   2           1HA      GLY   2  -3.028   0.002   7.009
   10    HA3  GLY   2           2HA      GLY   2  -4.509  -0.831   7.460
   11    H    LYS   3           H        LYS   3  -5.699  -1.155   4.979
   12    HA   LYS   3           HA       LYS   3  -4.146  -3.351   3.952
   13    HB2  LYS   3           1HB      LYS   3  -6.069  -3.910   2.665
   14    HB3  LYS   3           2HB      LYS   3  -6.653  -3.368   4.233
   15    HG2  LYS   3           1HG      LYS   3  -6.908  -1.069   3.096
   16    HG3  LYS   3           2HG      LYS   3  -6.794  -1.981   1.588
   17    HD2  LYS   3           1HD      LYS   3  -8.718  -3.285   2.151
   18    HD3  LYS   3           2HD      LYS   3  -8.756  -2.620   3.785
   19    HE2  LYS   3           1HE      LYS   3 -10.076  -0.980   3.079
   20    HE3  LYS   3           2HE      LYS   3  -8.813  -0.445   1.972
   21    HZ1  LYS   3           3HZ      LYS   3 -11.260  -1.431   1.272
   22    HZ2  LYS   3           1HZ      LYS   3 -10.214  -2.729   0.983
   23    HZ3  LYS   3           2HZ      LYS   3  -9.933  -1.235   0.242
   24    H    ALA   4           H        ALA   4  -4.602  -0.047   3.155
   25    HA   ALA   4           HA       ALA   4  -3.762  -0.361   0.393
   26    HB1  ALA   4           3HB      ALA   4  -3.947   2.110   0.318
   27    HB2  ALA   4           1HB      ALA   4  -5.431   1.312   0.838
   28    HB3  ALA   4           2HB      ALA   4  -4.387   2.094   2.026
   29    H    SER   5           H        SER   5  -1.996  -1.083   2.699
   30    HA   SER   5           HA       SER   5   0.131   0.884   2.593
   31    HB2  SER   5           1HB      SER   5  -0.093  -1.790   3.990
   32    HB3  SER   5           2HB      SER   5   1.319  -0.740   4.099
   33    HG   SER   5           HG       SER   5  -0.670  -0.641   5.675
   34    H    GLN   6           H        GLN   6  -0.504  -2.382   1.415
   35    HA   GLN   6           HA       GLN   6   2.067  -2.860   0.346
   36    HB2  GLN   6           1HB      GLN   6   0.947  -4.641  -0.969
   37    HB3  GLN   6           2HB      GLN   6   0.552  -4.698   0.745
   38    HG2  GLN   6           1HG      GLN   6  -1.618  -4.393   0.365
   39    HG3  GLN   6           2HG      GLN   6  -1.323  -3.092  -0.787
   40   HE21  GLN   6          2HE2      GLN   6  -0.910  -6.611  -0.551
   41   HE22  GLN   6          1HE2      GLN   6  -1.473  -6.955  -2.148
   42    H    PHE   7           H        PHE   7  -0.662  -1.061  -0.792
   43    HA   PHE   7           HA       PHE   7  -0.072  -1.051  -3.550
   44    HB2  PHE   7           1HB      PHE   7  -2.089  -0.038  -1.966
   45    HB3  PHE   7           2HB      PHE   7  -1.280   1.416  -2.539
   46    HD1  PHE   7           HD1      PHE   7  -2.754  -1.777  -3.739
   47    HD2  PHE   7           HD2      PHE   7  -1.761   2.263  -4.640
   48    HE1  PHE   7           HE1      PHE   7  -3.946  -1.966  -5.884
   49    HE2  PHE   7           HE2      PHE   7  -2.953   2.080  -6.786
   50    HZ   PHE   7           HZ       PHE   7  -4.047  -0.036  -7.410
   51    H    PHE   8           H        PHE   8   1.116   0.835  -0.857
   52    HA   PHE   8           HA       PHE   8   2.347   2.892  -2.366
   53    HB2  PHE   8           1HB      PHE   8   2.383   1.968   0.437
   54    HB3  PHE   8           2HB      PHE   8   3.836   2.809  -0.092
   55    HD1  PHE   8           HD2      PHE   8   3.490   5.087  -1.258
   56    HD2  PHE   8           HD1      PHE   8   0.541   3.171   1.140
   57    HE1  PHE   8           HE2      PHE   8   2.359   7.247  -0.927
   58    HE2  PHE   8           HE1      PHE   8  -0.595   5.328   1.474
   59    HZ   PHE   8           HZ       PHE   8   0.314   7.370   0.440
   60    H    GLY   9           H        GLY   9   3.295  -0.342  -1.497
   61    HA2  GLY   9           1HA      GLY   9   6.087   0.000  -2.045
   62    HA3  GLY   9           2HA      GLY   9   5.245  -1.528  -1.840
   63    H    LEU  10           H        LEU  10   3.290  -0.658  -3.977
   64    HA   LEU  10           HA       LEU  10   4.615  -1.903  -6.157
   65    HB2  LEU  10           1HB      LEU  10   1.984  -1.295  -5.451
   66    HB3  LEU  10           2HB      LEU  10   2.279  -0.400  -6.940
   67    HG   LEU  10           HG       LEU  10   2.837  -3.346  -6.705
   68   HD11  LEU  10          1HD1      LEU  10   0.425  -2.684  -8.147
   69   HD12  LEU  10          2HD1      LEU  10   0.319  -2.198  -6.456
   70   HD13  LEU  10          3HD1      LEU  10   0.687  -3.873  -6.870
   71   HD21  LEU  10          3HD2      LEU  10   3.855  -2.680  -8.634
   72   HD22  LEU  10          1HD2      LEU  10   2.762  -1.317  -8.874
   73   HD23  LEU  10          2HD2      LEU  10   2.224  -2.954  -9.251
   74    H    MET  11           H        MET  11   3.894   1.436  -5.320
   75    HA   MET  11           HA       MET  11   4.807   2.469  -7.849
   76    HB2  MET  11           1HB      MET  11   4.474   4.672  -6.828
   77    HB3  MET  11           2HB      MET  11   3.067   3.643  -6.596
   78    HG2  MET  11           1HG      MET  11   3.375   3.481  -4.346
   79    HG3  MET  11           2HG      MET  11   5.121   3.691  -4.459
   80    HE1  MET  11           3HE      MET  11   5.716   7.411  -4.439
   81    HE2  MET  11           1HE      MET  11   6.362   5.771  -4.391
   82    HE3  MET  11           2HE      MET  11   5.716   6.420  -5.898
  Start of MODEL   18
    1    H1   THR   1           H        THR   1  -6.178   3.305   6.544
    2    HA   THR   1           HA       THR   1  -4.357   3.228   4.237
    3    HB   THR   1           HB       THR   1  -3.333   4.248   6.855
    4    HG1  THR   1           HG1      THR   1  -4.066   6.263   6.460
    5   HG21  THR   1          3HG2      THR   1  -1.596   5.115   5.595
    6   HG22  THR   1          1HG2      THR   1  -2.568   5.208   4.126
    7   HG23  THR   1          2HG2      THR   1  -1.985   3.645   4.702
    8    H    GLY   2           H        GLY   2  -5.602   1.007   5.411
    9    HA2  GLY   2           1HA      GLY   2  -3.439  -0.221   6.994
   10    HA3  GLY   2           2HA      GLY   2  -5.110  -0.768   6.974
   11    H    LYS   3           H        LYS   3  -5.903  -1.584   4.829
   12    HA   LYS   3           HA       LYS   3  -4.119  -3.602   3.894
   13    HB2  LYS   3           1HB      LYS   3  -5.962  -4.214   2.374
   14    HB3  LYS   3           2HB      LYS   3  -6.505  -4.035   4.037
   15    HG2  LYS   3           1HG      LYS   3  -7.845  -2.299   3.552
   16    HG3  LYS   3           2HG      LYS   3  -6.714  -1.614   2.383
   17    HD2  LYS   3           1HD      LYS   3  -7.682  -2.669   0.648
   18    HD3  LYS   3           2HD      LYS   3  -7.916  -4.161   1.562
   19    HE2  LYS   3           1HE      LYS   3 -10.093  -3.590   1.416
   20    HE3  LYS   3           2HE      LYS   3  -9.700  -2.567   2.797
   21    HZ1  LYS   3           3HZ      LYS   3 -10.623  -1.789   0.272
   22    HZ2  LYS   3           1HZ      LYS   3  -9.063  -1.166   0.464
   23    HZ3  LYS   3           2HZ      LYS   3 -10.261  -0.809   1.602
   24    H    ALA   4           H        ALA   4  -4.809  -0.386   2.926
   25    HA   ALA   4           HA       ALA   4  -3.835  -0.748   0.215
   26    HB1  ALA   4           3HB      ALA   4  -4.808   1.661   1.731
   27    HB2  ALA   4           1HB      ALA   4  -4.167   1.745   0.090
   28    HB3  ALA   4           2HB      ALA   4  -5.618   0.800   0.423
   29    H    SER   5           H        SER   5  -2.111  -1.220   2.616
   30    HA   SER   5           HA       SER   5  -0.149   0.912   2.498
   31    HB2  SER   5           1HB      SER   5  -0.362  -1.654   4.063
   32    HB3  SER   5           2HB      SER   5   1.120  -0.698   4.060
   33    HG   SER   5           HG       SER   5   0.008   0.114   5.731
   34    H    GLN   6           H        GLN   6  -0.466  -2.445   1.451
   35    HA   GLN   6           HA       GLN   6   2.178  -2.746   0.499
   36    HB2  GLN   6           1HB      GLN   6   1.400  -4.741  -0.579
   37    HB3  GLN   6           2HB      GLN   6   0.590  -4.618   0.977
   38    HG2  GLN   6           1HG      GLN   6  -1.188  -5.171  -0.307
   39    HG3  GLN   6           2HG      GLN   6  -1.254  -3.419  -0.487
   40   HE21  GLN   6          2HE2      GLN   6  -2.495  -4.829  -2.351
   41   HE22  GLN   6          1HE2      GLN   6  -1.613  -4.839  -3.836
   42    H    PHE   7           H        PHE   7  -0.651  -1.248  -0.819
   43    HA   PHE   7           HA       PHE   7   0.039  -1.316  -3.553
   44    HB2  PHE   7           1HB      PHE   7  -2.221  -0.735  -2.606
   45    HB3  PHE   7           2HB      PHE   7  -1.560   0.835  -2.159
   46    HD1  PHE   7           HD1      PHE   7  -1.833  -1.391  -5.140
   47    HD2  PHE   7           HD2      PHE   7  -1.861   2.583  -3.615
   48    HE1  PHE   7           HE1      PHE   7  -2.365  -0.537  -7.386
   49    HE2  PHE   7           HE2      PHE   7  -2.395   3.443  -5.857
   50    HZ   PHE   7           HZ       PHE   7  -2.649   1.883  -7.746
   51    H    PHE   8           H        PHE   8   0.958   0.792  -0.919
   52    HA   PHE   8           HA       PHE   8   2.066   2.874  -2.486
   53    HB2  PHE   8           1HB      PHE   8   2.104   2.079   0.363
   54    HB3  PHE   8           2HB      PHE   8   3.463   3.058  -0.177
   55    HD1  PHE   8           HD2      PHE   8   2.831   5.196  -1.542
   56    HD2  PHE   8           HD1      PHE   8   0.175   3.121   1.058
   57    HE1  PHE   8           HE2      PHE   8   1.452   7.223  -1.337
   58    HE2  PHE   8           HE1      PHE   8  -1.209   5.145   1.266
   59    HZ   PHE   8           HZ       PHE   8  -0.571   7.200   0.067
   60    H    GLY   9           H        GLY   9   3.252  -0.219  -1.425
   61    HA2  GLY   9           1HA      GLY   9   6.024   0.340  -1.895
   62    HA3  GLY   9           2HA      GLY   9   5.309  -1.245  -1.643
   63    H    LEU  10           H        LEU  10   3.370  -0.650  -3.885
   64    HA   LEU  10           HA       LEU  10   4.880  -1.875  -5.955
   65    HB2  LEU  10           1HB      LEU  10   2.110  -1.010  -5.526
   66    HB3  LEU  10           2HB      LEU  10   2.642  -0.945  -7.205
   67    HG   LEU  10           HG       LEU  10   1.487  -3.042  -6.664
   68   HD11  LEU  10          1HD1      LEU  10   3.605  -2.751  -8.230
   69   HD12  LEU  10          2HD1      LEU  10   2.850  -4.321  -7.961
   70   HD13  LEU  10          3HD1      LEU  10   4.305  -3.878  -7.068
   71   HD21  LEU  10          3HD2      LEU  10   2.115  -3.214  -4.314
   72   HD22  LEU  10          1HD2      LEU  10   3.794  -3.496  -4.773
   73   HD23  LEU  10          2HD2      LEU  10   2.556  -4.679  -5.194
   74    H    MET  11           H        MET  11   3.842   1.423  -5.311
   75    HA   MET  11           HA       MET  11   4.728   2.424  -7.855
   76    HB2  MET  11           1HB      MET  11   3.260   3.426  -5.590
   77    HB3  MET  11           2HB      MET  11   4.530   4.560  -6.029
   78    HG2  MET  11           1HG      MET  11   3.556   5.112  -7.984
   79    HG3  MET  11           2HG      MET  11   2.925   3.488  -8.254
   80    HE1  MET  11           3HE      MET  11   0.984   6.742  -8.298
   81    HE2  MET  11           1HE      MET  11   1.019   7.128  -6.577
   82    HE3  MET  11           2HE      MET  11   2.527   6.868  -7.452
  Start of MODEL   19
    1    H1   THR   1           H        THR   1  -6.678   3.147   4.789
    2    HA   THR   1           HA       THR   1  -4.478   3.257   4.199
    3    HB   THR   1           HB       THR   1  -4.394   5.349   5.501
    4    HG1  THR   1           HG1      THR   1  -2.256   5.372   5.355
    5   HG21  THR   1          3HG2      THR   1  -3.074   4.292   7.840
    6   HG22  THR   1          1HG2      THR   1  -4.713   3.656   7.702
    7   HG23  THR   1          2HG2      THR   1  -4.442   5.399   7.731
    8    H    GLY   2           H        GLY   2  -5.689   0.955   5.620
    9    HA2  GLY   2           1HA      GLY   2  -3.336  -0.172   6.974
   10    HA3  GLY   2           2HA      GLY   2  -4.974  -0.803   7.075
   11    H    LYS   3           H        LYS   3  -5.870  -1.542   4.879
   12    HA   LYS   3           HA       LYS   3  -4.129  -3.571   3.893
   13    HB2  LYS   3           1HB      LYS   3  -5.971  -4.276   2.545
   14    HB3  LYS   3           2HB      LYS   3  -6.626  -3.769   4.096
   15    HG2  LYS   3           1HG      LYS   3  -6.857  -1.462   2.772
   16    HG3  LYS   3           2HG      LYS   3  -6.960  -2.582   1.411
   17    HD2  LYS   3           1HD      LYS   3  -8.619  -2.935   3.892
   18    HD3  LYS   3           2HD      LYS   3  -9.147  -1.911   2.553
   19    HE2  LYS   3           1HE      LYS   3 -10.002  -3.751   1.634
   20    HE3  LYS   3           2HE      LYS   3  -8.344  -4.266   1.331
   21    HZ1  LYS   3           3HZ      LYS   3  -8.889  -4.914   3.962
   22    HZ2  LYS   3           1HZ      LYS   3  -8.737  -5.979   2.656
   23    HZ3  LYS   3           2HZ      LYS   3 -10.260  -5.383   3.089
   24    H    ALA   4           H        ALA   4  -4.769  -0.329   2.980
   25    HA   ALA   4           HA       ALA   4  -3.822  -0.668   0.256
   26    HB1  ALA   4           3HB      ALA   4  -5.558   0.912   0.460
   27    HB2  ALA   4           1HB      ALA   4  -4.778   1.711   1.825
   28    HB3  ALA   4           2HB      ALA   4  -4.088   1.855   0.207
   29    H    SER   5           H        SER   5  -2.088  -1.205   2.635
   30    HA   SER   5           HA       SER   5  -0.090   0.891   2.534
   31    HB2  SER   5           1HB      SER   5  -0.703  -0.440   4.625
   32    HB3  SER   5           2HB      SER   5   0.181  -1.785   3.905
   33    HG   SER   5           HG       SER   5   1.662  -0.731   5.113
   34    H    GLN   6           H        GLN   6  -0.475  -2.444   1.441
   35    HA   GLN   6           HA       GLN   6   2.156  -2.778   0.464
   36    HB2  GLN   6           1HB      GLN   6   1.289  -4.718  -0.710
   37    HB3  GLN   6           2HB      GLN   6   0.621  -4.657   0.916
   38    HG2  GLN   6           1HG      GLN   6  -1.322  -3.367  -0.350
   39    HG3  GLN   6           2HG      GLN   6  -0.716  -4.320  -1.702
   40   HE21  GLN   6          2HE2      GLN   6  -0.272  -6.691  -1.021
   41   HE22  GLN   6          1HE2      GLN   6  -1.555  -7.452  -0.151
   42    H    PHE   7           H        PHE   7  -0.654  -1.209  -0.810
   43    HA   PHE   7           HA       PHE   7   0.015  -1.248  -3.550
   44    HB2  PHE   7           1HB      PHE   7  -1.907   0.145  -1.832
   45    HB3  PHE   7           2HB      PHE   7  -1.381   1.102  -3.213
   46    HD1  PHE   7           HD2      PHE   7  -2.721  -2.249  -2.320
   47    HD2  PHE   7           HD1      PHE   7  -2.365   0.786  -5.283
   48    HE1  PHE   7           HE2      PHE   7  -4.289  -3.480  -3.763
   49    HE2  PHE   7           HE1      PHE   7  -3.934  -0.439  -6.730
   50    HZ   PHE   7           HZ       PHE   7  -4.897  -2.575  -5.971
   51    H    PHE   8           H        PHE   8   0.992   0.802  -0.891
   52    HA   PHE   8           HA       PHE   8   2.126   2.889  -2.435
   53    HB2  PHE   8           1HB      PHE   8   2.330   2.001   0.412
   54    HB3  PHE   8           2HB      PHE   8   3.509   3.158  -0.198
   55    HD1  PHE   8           HD2      PHE   8   2.724   5.345  -1.099
   56    HD2  PHE   8           HD1      PHE   8   0.126   2.651   0.928
   57    HE1  PHE   8           HE2      PHE   8   1.120   7.173  -0.733
   58    HE2  PHE   8           HE1      PHE   8  -1.484   4.475   1.296
   59    HZ   PHE   8           HZ       PHE   8  -0.987   6.740   0.467
   60    H    GLY   9           H        GLY   9   3.265  -0.242  -1.431
   61    HA2  GLY   9           1HA      GLY   9   6.042   0.273  -1.914
   62    HA3  GLY   9           2HA      GLY   9   5.300  -1.302  -1.681
   63    H    LEU  10           H        LEU  10   3.354  -0.638  -3.897
   64    HA   LEU  10           HA       LEU  10   4.825  -1.858  -5.998
   65    HB2  LEU  10           1HB      LEU  10   2.245  -1.795  -5.426
   66    HB3  LEU  10           2HB      LEU  10   2.273  -0.429  -6.538
   67    HG   LEU  10           HG       LEU  10   3.352  -2.019  -8.211
   68   HD11  LEU  10          1HD1      LEU  10   3.948  -4.013  -7.433
   69   HD12  LEU  10          2HD1      LEU  10   2.231  -4.410  -7.371
   70   HD13  LEU  10          3HD1      LEU  10   3.041  -3.779  -5.939
   71   HD21  LEU  10          3HD2      LEU  10   0.852  -1.263  -7.940
   72   HD22  LEU  10          1HD2      LEU  10   0.610  -2.961  -7.528
   73   HD23  LEU  10          2HD2      LEU  10   1.296  -2.523  -9.092
   74    H    MET  11           H        MET  11   3.856   1.448  -5.293
   75    HA   MET  11           HA       MET  11   4.564   2.547  -7.807
   76    HB2  MET  11           1HB      MET  11   3.147   3.537  -5.833
   77    HB3  MET  11           2HB      MET  11   4.701   4.144  -5.277
   78    HG2  MET  11           1HG      MET  11   4.778   5.734  -6.841
   79    HG3  MET  11           2HG      MET  11   4.179   4.658  -8.101
   80    HE1  MET  11           3HE      MET  11   2.879   7.870  -5.916
   81    HE2  MET  11           1HE      MET  11   3.878   7.644  -7.352
   82    HE3  MET  11           2HE      MET  11   2.188   8.119  -7.520
  Start of MODEL   20
    1    H1   THR   1           H        THR   1  -6.435   2.832   5.027
    2    HA   THR   1           HA       THR   1  -3.661   3.587   4.430
    3    HB   THR   1           HB       THR   1  -4.233   3.658   7.239
    4    HG1  THR   1           HG1      THR   1  -6.108   4.664   7.322
    5   HG21  THR   1          3HG2      THR   1  -3.791   6.123   6.840
    6   HG22  THR   1          1HG2      THR   1  -3.615   5.721   5.133
    7   HG23  THR   1          2HG2      THR   1  -2.521   5.016   6.322
    8    H    GLY   2           H        GLY   2  -5.621   1.098   5.874
    9    HA2  GLY   2           1HA      GLY   2  -3.337  -0.225   7.095
   10    HA3  GLY   2           2HA      GLY   2  -5.007  -0.772   7.137
   11    H    LYS   3           H        LYS   3  -5.873  -1.466   4.926
   12    HA   LYS   3           HA       LYS   3  -4.159  -3.536   3.948
   13    HB2  LYS   3           1HB      LYS   3  -6.035  -4.094   2.466
   14    HB3  LYS   3           2HB      LYS   3  -6.567  -3.885   4.129
   15    HG2  LYS   3           1HG      LYS   3  -7.767  -2.013   3.660
   16    HG3  LYS   3           2HG      LYS   3  -6.703  -1.527   2.339
   17    HD2  LYS   3           1HD      LYS   3  -7.888  -3.982   1.596
   18    HD3  LYS   3           2HD      LYS   3  -9.177  -2.951   2.223
   19    HE2  LYS   3           1HE      LYS   3  -8.021  -1.141   0.710
   20    HE3  LYS   3           2HE      LYS   3  -7.395  -2.556  -0.136
   21    HZ1  LYS   3           3HZ      LYS   3 -10.108  -2.986   0.279
   22    HZ2  LYS   3           1HZ      LYS   3  -9.322  -2.689  -1.188
   23    HZ3  LYS   3           2HZ      LYS   3  -9.959  -1.402  -0.294
   24    H    ALA   4           H        ALA   4  -4.781  -0.287   3.046
   25    HA   ALA   4           HA       ALA   4  -3.854  -0.628   0.314
   26    HB1  ALA   4           3HB      ALA   4  -5.016   1.225  -0.050
   27    HB2  ALA   4           1HB      ALA   4  -5.442   1.272   1.661
   28    HB3  ALA   4           2HB      ALA   4  -4.005   2.118   1.086
   29    H    SER   5           H        SER   5  -2.109  -1.183   2.680
   30    HA   SER   5           HA       SER   5  -0.096   0.899   2.570
   31    HB2  SER   5           1HB      SER   5  -0.296  -0.021   4.722
   32    HB3  SER   5           2HB      SER   5  -0.381  -1.673   4.107
   33    HG   SER   5           HG       SER   5   1.713  -1.772   4.168
   34    H    GLN   6           H        GLN   6  -0.513  -2.430   1.472
   35    HA   GLN   6           HA       GLN   6   2.107  -2.785   0.478
   36    HB2  GLN   6           1HB      GLN   6   1.060  -4.636  -0.870
   37    HB3  GLN   6           2HB      GLN   6   0.779  -4.725   0.863
   38    HG2  GLN   6           1HG      GLN   6  -1.409  -4.727   0.559
   39    HG3  GLN   6           2HG      GLN   6  -1.324  -3.231  -0.370
   40   HE21  GLN   6          2HE2      GLN   6  -1.746  -6.613  -0.470
   41   HE22  GLN   6          1HE2      GLN   6  -1.929  -6.773  -2.180
   42    H    PHE   7           H        PHE   7  -0.694  -1.186  -0.776
   43    HA   PHE   7           HA       PHE   7  -0.039  -1.221  -3.519
   44    HB2  PHE   7           1HB      PHE   7  -2.276  -0.633  -2.769
   45    HB3  PHE   7           2HB      PHE   7  -1.651   0.778  -1.920
   46    HD1  PHE   7           HD1      PHE   7  -1.282  -0.626  -5.363
   47    HD2  PHE   7           HD2      PHE   7  -2.209   2.747  -2.937
   48    HE1  PHE   7           HE1      PHE   7  -1.615   0.733  -7.386
   49    HE2  PHE   7           HE2      PHE   7  -2.544   4.111  -4.956
   50    HZ   PHE   7           HZ       PHE   7  -2.249   3.105  -7.185
   51    H    PHE   8           H        PHE   8   0.968   0.811  -0.857
   52    HA   PHE   8           HA       PHE   8   2.112   2.893  -2.398
   53    HB2  PHE   8           1HB      PHE   8   2.081   2.077   0.425
   54    HB3  PHE   8           2HB      PHE   8   3.552   2.909  -0.067
   55    HD1  PHE   8           HD1      PHE   8   3.082   5.075  -1.561
   56    HD2  PHE   8           HD2      PHE   8   0.371   3.360   1.236
   57    HE1  PHE   8           HE1      PHE   8   1.927   7.239  -1.359
   58    HE2  PHE   8           HE2      PHE   8  -0.789   5.520   1.442
   59    HZ   PHE   8           HZ       PHE   8  -0.012   7.463   0.143
   60    H    GLY   9           H        GLY   9   3.230  -0.252  -1.412
   61    HA2  GLY   9           1HA      GLY   9   6.009   0.242  -1.908
   62    HA3  GLY   9           2HA      GLY   9   5.254  -1.328  -1.677
   63    H    LEU  10           H        LEU  10   3.303  -0.639  -3.880
   64    HA   LEU  10           HA       LEU  10   4.751  -1.863  -5.994
   65    HB2  LEU  10           1HB      LEU  10   2.395  -2.256  -5.763
   66    HB3  LEU  10           2HB      LEU  10   2.050  -0.534  -5.914
   67    HG   LEU  10           HG       LEU  10   3.380  -1.198  -8.270
   68   HD11  LEU  10          1HD1      LEU  10   2.463  -3.147  -9.130
   69   HD12  LEU  10          2HD1      LEU  10   1.203  -3.217  -7.899
   70   HD13  LEU  10          3HD1      LEU  10   2.872  -3.599  -7.476
   71   HD21  LEU  10          3HD2      LEU  10   1.561   0.392  -8.061
   72   HD22  LEU  10          1HD2      LEU  10   0.432  -0.914  -7.696
   73   HD23  LEU  10          2HD2      LEU  10   1.176  -0.812  -9.292
   74    H    MET  11           H        MET  11   3.815   1.448  -5.271
   75    HA   MET  11           HA       MET  11   4.770   2.447  -7.810
   76    HB2  MET  11           1HB      MET  11   2.883   3.379  -6.186
   77    HB3  MET  11           2HB      MET  11   4.243   4.262  -5.505
   78    HG2  MET  11           1HG      MET  11   4.499   5.569  -7.340
   79    HG3  MET  11           2HG      MET  11   3.919   4.325  -8.445
   80    HE1  MET  11           3HE      MET  11   1.600   7.507  -6.209
   81    HE2  MET  11           1HE      MET  11   1.875   6.077  -5.214
   82    HE3  MET  11           2HE      MET  11   3.244   6.940  -5.914