*HEADER    PEPTIDE BINDING PROTEIN                 17-JUN-19   6S0N              
*TITLE     A9 PEPTIDE                                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLN-ASP-VAL-ASN-THR-ALA-VAL-ALA-TRP;                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_TAXID: 9606                                                 
*KEYWDS    HER2 RECEPTOR, PEPTIDE-PROTEIN INTERACTION, SATURATION TRANSFER       
*KEYWDS   2 DIFFERENCE, SPR TECHNIQUE, PEPTIDE BINDING PROTEIN                   
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    S.DE LUCA,V.VERDOLIVA,M.SAVIANO,R.FATTORUSSO,D.DIANA                  
*REVDAT   1   06-NOV-19 6S0N    0                                                
# Restraints file 1: a9.cco

 29  VAL    HA      H   6.5       2.0
 30  ASN    HA      H   6.5       2.0
 31  THR    HA      H   6.1       2.0
 33  VAL    HA      H   7.0       2.0
 35  TRP    HA      H   8.8       2.0

 
# Restraints file 2: hbond.upl
  
  33 VAL  H   29 VAL    O    2.2
  32 ALA  H   29 VAL    O    2.2
  31 THR  H   28 ASP    O    2.2
  30 ASN  H   28 ASP    O    2.2
  33 VAL  N   29 VAL    C    4.0
  32 ALA  N   29 VAL    C    4.0    
  31 THR  N   28 ASP    C    4.0
  30 ASN  N   28 ASP    C    4.0


# Restraints file 3: D_1292102950_mr_P2.cyana.V2
 #27  GLN   HA      H   6.0       2.0
 #28  ASP   HA      H   6.8       2.0 
 29  VAL    HA      H   6.5       2.0
 30  ASN    HA      H   6.5       2.0
 31  THR    HA      H   6.1       2.0
 32  ALA    HA      H   6.7       2.0
 33  VAL    HA      H   7.0       2.0
 34  ALA    HA      H   7.5       2.0
 35  TRP    HA      H   8.8       2.0

 
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLN  27           H        GLN  27   4.271   0.440  -3.502
    2    HA   GLN  27           HA       GLN  27   1.361   0.483  -3.928
    3    HB2  GLN  27          2HB       GLN  27   0.994   1.058  -1.606
    4    HB3  GLN  27          3HB       GLN  27   1.888  -0.454  -1.697
    5    HG2  GLN  27          2HG       GLN  27   3.696   1.775  -1.562
    6    HG3  GLN  27          3HG       GLN  27   2.541   1.827  -0.231
    7   HE21  GLN  27          1HE2      GLN  27   3.423   0.988   1.509
    8   HE22  GLN  27          2HE2      GLN  27   4.382  -0.448   1.577
    9    H    ASP  28           H        ASP  28   0.662   2.725  -2.622
   10    HA   ASP  28           HA       ASP  28   2.458   4.894  -3.300
   11    HB2  ASP  28          2HB       ASP  28  -0.142   4.435  -4.760
   12    HB3  ASP  28          3HB       ASP  28   0.619   6.021  -4.668
   13    H    VAL  29           H        VAL  29   2.407   5.544  -1.181
   14    HA   VAL  29           HA       VAL  29   0.212   5.691   0.505
   15    HB   VAL  29           HB       VAL  29   2.462   5.980   1.351
   16   HG11  VAL  29          1HG1      VAL  29   3.660   8.133   0.996
   17   HG12  VAL  29          2HG1      VAL  29   3.498   7.157  -0.465
   18   HG13  VAL  29          3HG1      VAL  29   2.450   8.555  -0.216
   19   HG21  VAL  29          1HG2      VAL  29   1.017   8.569   1.848
   20   HG22  VAL  29          2HG2      VAL  29   0.457   7.030   2.502
   21   HG23  VAL  29          3HG2      VAL  29   2.042   7.657   2.957
   22    H    ASN  30           H        ASN  30   0.839   7.510  -2.278
   23    HA   ASN  30           HA       ASN  30  -0.837   9.750  -1.421
   24    HB2  ASN  30          2HB       ASN  30  -0.190  10.723  -3.650
   25    HB3  ASN  30          3HB       ASN  30   1.161  10.431  -2.559
   26   HD21  ASN  30          1HD2      ASN  30  -0.168   9.825  -5.605
   27   HD22  ASN  30          2HD2      ASN  30   1.003   8.682  -6.160
   28    H    THR  31           H        THR  31  -0.975   6.844  -3.224
   29    HA   THR  31           HA       THR  31  -3.059   7.502  -5.024
   30    HB   THR  31           HB       THR  31  -1.524   5.476  -5.151
   31    HG1  THR  31           HG1      THR  31  -3.068   4.394  -6.306
   32   HG21  THR  31          1HG2      THR  31  -3.383   3.739  -3.783
   33   HG22  THR  31          2HG2      THR  31  -2.674   4.908  -2.670
   34   HG23  THR  31          3HG2      THR  31  -1.631   3.853  -3.623
   35    H    ALA  32           H        ALA  32  -3.069   7.262  -1.696
   36    HA   ALA  32           HA       ALA  32  -5.986   6.859  -1.677
   37    HB1  ALA  32          1HB       ALA  32  -5.335   4.887  -0.688
   38    HB2  ALA  32          2HB       ALA  32  -3.908   5.606   0.059
   39    HB3  ALA  32          3HB       ALA  32  -5.510   5.935   0.720
   40    H    VAL  33           H        VAL  33  -3.220   8.601  -0.550
   41    HA   VAL  33           HA       VAL  33  -4.211   9.947   1.660
   42    HB   VAL  33           HB       VAL  33  -1.856  10.043   0.642
   43   HG11  VAL  33          1HG1      VAL  33  -1.342  11.624  -0.974
   44   HG12  VAL  33          2HG1      VAL  33  -2.874  10.967  -1.554
   45   HG13  VAL  33          3HG1      VAL  33  -2.838  12.521  -0.719
   46   HG21  VAL  33          1HG2      VAL  33  -1.420  12.237   1.657
   47   HG22  VAL  33          2HG2      VAL  33  -3.154  12.562   1.682
   48   HG23  VAL  33          3HG2      VAL  33  -2.488  11.251   2.657
   49    H    ALA  34           H        ALA  34  -5.146  12.024   1.925
   50    HA   ALA  34           HA       ALA  34  -7.279  12.568   0.124
   51    HB1  ALA  34          1HB       ALA  34  -6.272  13.793   2.645
   52    HB2  ALA  34          2HB       ALA  34  -7.418  14.695   1.653
   53    HB3  ALA  34          3HB       ALA  34  -7.854  13.105   2.278
   54    H    TRP  35           H        TRP  35  -4.210  14.184   0.842
   55    HA   TRP  35           HA       TRP  35  -3.050  15.819  -0.234
   56    HB2  TRP  35          2HB       TRP  35  -3.465  13.945  -2.054
   57    HB3  TRP  35          3HB       TRP  35  -4.456  15.197  -2.797
   58    HD1  TRP  35           HD1      TRP  35  -3.217  16.862  -4.309
   59    HE1  TRP  35           HE1      TRP  35  -0.751  17.455  -4.748
   60    HE3  TRP  35           HE3      TRP  35  -1.035  14.024  -0.658
   61    HZ2  TRP  35           HZ2      TRP  35   1.783  16.806  -3.688
   62    HZ3  TRP  35           HZ3      TRP  35   1.415  14.066  -0.438
   63    HH2  TRP  35           HH2      TRP  35   2.793  15.428  -1.923
  Start of MODEL    2
    1    H1   GLN  27           H        GLN  27   1.807   0.000   0.855
    2    HA   GLN  27           HA       GLN  27   2.970  -0.609  -1.092
    3    HB2  GLN  27          2HB       GLN  27   0.916  -1.577  -2.079
    4    HB3  GLN  27          3HB       GLN  27   0.404   0.037  -2.554
    5    HG2  GLN  27          2HG       GLN  27   1.898   0.166  -4.260
    6    HG3  GLN  27          3HG       GLN  27   3.072  -0.878  -3.459
    7   HE21  GLN  27          1HE2      GLN  27   2.844  -1.455  -5.951
    8   HE22  GLN  27          2HE2      GLN  27   1.851  -2.836  -6.250
    9    H    ASP  28           H        ASP  28   0.788   2.155  -0.977
   10    HA   ASP  28           HA       ASP  28   2.998   3.949  -1.451
   11    HB2  ASP  28          2HB       ASP  28   0.746   3.667  -3.438
   12    HB3  ASP  28          3HB       ASP  28   1.722   5.128  -3.319
   13    H    VAL  29           H        VAL  29   2.582   4.866   0.526
   14    HA   VAL  29           HA       VAL  29   0.118   5.525   1.612
   15    HB   VAL  29           HB       VAL  29   1.273   7.063   3.073
   16   HG11  VAL  29          1HG1      VAL  29   2.409   5.463   4.179
   17   HG12  VAL  29          2HG1      VAL  29   1.789   4.414   2.902
   18   HG13  VAL  29          3HG1      VAL  29   3.421   5.073   2.789
   19   HG21  VAL  29          1HG2      VAL  29   2.984   7.405   0.803
   20   HG22  VAL  29          2HG2      VAL  29   2.888   8.367   2.278
   21   HG23  VAL  29          3HG2      VAL  29   3.949   6.960   2.210
   22    H    ASN  30           H        ASN  30   1.634   6.865  -1.097
   23    HA   ASN  30           HA       ASN  30   0.202   9.408  -0.876
   24    HB2  ASN  30          2HB       ASN  30   2.556   8.448  -2.378
   25    HB3  ASN  30          3HB       ASN  30   1.506   9.554  -3.259
   26   HD21  ASN  30          1HD2      ASN  30   1.586  11.670  -2.815
   27   HD22  ASN  30          2HD2      ASN  30   2.553  12.379  -1.571
   28    H    THR  31           H        THR  31  -0.004   6.342  -2.382
   29    HA   THR  31           HA       THR  31  -1.498   7.044  -4.684
   30    HB   THR  31           HB       THR  31  -0.325   4.827  -4.251
   31    HG1  THR  31           HG1      THR  31  -2.205   5.404  -5.827
   32   HG21  THR  31          1HG2      THR  31  -2.073   4.744  -2.075
   33   HG22  THR  31          2HG2      THR  31  -1.036   3.440  -2.652
   34   HG23  THR  31          3HG2      THR  31  -2.703   3.555  -3.214
   35    H    ALA  32           H        ALA  32  -2.289   7.237  -1.449
   36    HA   ALA  32           HA       ALA  32  -5.163   7.242  -2.093
   37    HB1  ALA  32          1HB       ALA  32  -3.756   5.953   0.200
   38    HB2  ALA  32          2HB       ALA  32  -5.390   6.580   0.425
   39    HB3  ALA  32          3HB       ALA  32  -5.079   5.345  -0.796
   40    H    VAL  33           H        VAL  33  -2.473   8.718  -0.495
   41    HA   VAL  33           HA       VAL  33  -3.703  10.462   1.272
   42    HB   VAL  33           HB       VAL  33  -1.196  10.100   0.854
   43   HG11  VAL  33          1HG1      VAL  33  -0.074  11.374  -0.726
   44   HG12  VAL  33          2HG1      VAL  33  -1.520  10.861  -1.599
   45   HG13  VAL  33          3HG1      VAL  33  -1.423  12.491  -0.931
   46   HG21  VAL  33          1HG2      VAL  33  -2.665  12.409   1.811
   47   HG22  VAL  33          2HG2      VAL  33  -1.260  11.599   2.505
   48   HG23  VAL  33          3HG2      VAL  33  -1.043  12.835   1.265
   49    H    ALA  34           H        ALA  34  -4.560  12.516   1.123
   50    HA   ALA  34           HA       ALA  34  -4.960  13.625  -1.567
   51    HB1  ALA  34          1HB       ALA  34  -7.198  13.538  -1.504
   52    HB2  ALA  34          2HB       ALA  34  -6.958  12.289  -0.282
   53    HB3  ALA  34          3HB       ALA  34  -7.264  13.955   0.209
   54    H    TRP  35           H        TRP  35  -5.137  15.862  -1.674
   55    HA   TRP  35           HA       TRP  35  -4.188  17.261   0.715
   56    HB2  TRP  35          2HB       TRP  35  -3.637  19.101  -0.851
   57    HB3  TRP  35          3HB       TRP  35  -2.856  17.585  -1.291
   58    HD1  TRP  35           HD1      TRP  35  -6.037  19.571  -2.308
   59    HE1  TRP  35           HE1      TRP  35  -6.416  19.212  -4.828
   60    HE3  TRP  35           HE3      TRP  35  -2.210  16.314  -3.249
   61    HZ2  TRP  35           HZ2      TRP  35  -5.248  17.742  -6.936
   62    HZ3  TRP  35           HZ3      TRP  35  -1.909  15.479  -5.543
   63    HH2  TRP  35           HH2      TRP  35  -3.398  16.178  -7.347
  Start of MODEL    3
    1    H1   GLN  27           H        GLN  27   2.569  -0.519   0.727
    2    HA   GLN  27           HA       GLN  27   2.367   0.192  -2.093
    3    HB2  GLN  27          2HB       GLN  27   0.485  -0.659  -0.339
    4    HB3  GLN  27          3HB       GLN  27   0.269   1.081  -0.213
    5    HG2  GLN  27          2HG       GLN  27  -0.559   1.274  -2.305
    6    HG3  GLN  27          3HG       GLN  27   0.443  -0.030  -2.941
    7   HE21  GLN  27          1HE2      GLN  27  -0.722  -1.655  -3.645
    8   HE22  GLN  27          2HE2      GLN  27  -2.189  -2.242  -2.948
    9    H    ASP  28           H        ASP  28   1.968   2.348  -2.792
   10    HA   ASP  28           HA       ASP  28   3.571   4.285  -1.425
   11    HB2  ASP  28          2HB       ASP  28   1.870   4.398  -3.913
   12    HB3  ASP  28          3HB       ASP  28   2.728   5.805  -3.292
   13    H    VAL  29           H        VAL  29   2.660   4.812   0.528
   14    HA   VAL  29           HA       VAL  29  -0.015   5.265   1.092
   15    HB   VAL  29           HB       VAL  29   0.696   6.491   3.048
   16   HG11  VAL  29          1HG1      VAL  29   2.939   4.625   3.019
   17   HG12  VAL  29          2HG1      VAL  29   1.506   4.661   4.048
   18   HG13  VAL  29          3HG1      VAL  29   1.428   3.916   2.450
   19   HG21  VAL  29          1HG2      VAL  29   2.878   7.254   1.361
   20   HG22  VAL  29          2HG2      VAL  29   2.402   7.910   2.928
   21   HG23  VAL  29          3HG2      VAL  29   3.505   6.536   2.846
   22    H    ASN  30           H        ASN  30   2.045   7.088  -0.874
   23    HA   ASN  30           HA       ASN  30   0.499   9.550  -0.536
   24    HB2  ASN  30          2HB       ASN  30   2.206  10.568  -2.009
   25    HB3  ASN  30          3HB       ASN  30   2.922   9.808  -0.591
   26   HD21  ASN  30          1HD2      ASN  30   4.326   8.156  -0.841
   27   HD22  ASN  30          2HD2      ASN  30   4.843   7.549  -2.374
   28    H    THR  31           H        THR  31   0.781   6.827  -2.590
   29    HA   THR  31           HA       THR  31  -0.150   7.963  -5.012
   30    HB   THR  31           HB       THR  31   0.976   5.698  -4.729
   31    HG1  THR  31           HG1      THR  31   0.185   5.251  -6.657
   32   HG21  THR  31          1HG2      THR  31  -0.037   4.036  -3.636
   33   HG22  THR  31          2HG2      THR  31  -1.526   4.264  -4.552
   34   HG23  THR  31          3HG2      THR  31  -1.234   5.212  -3.094
   35    H    ALA  32           H        ALA  32  -1.694   7.542  -2.086
   36    HA   ALA  32           HA       ALA  32  -4.330   7.684  -3.391
   37    HB1  ALA  32          1HB       ALA  32  -3.456   5.975  -1.107
   38    HB2  ALA  32          2HB       ALA  32  -5.120   6.557  -1.168
   39    HB3  ALA  32          3HB       ALA  32  -4.481   5.575  -2.486
   40    H    VAL  33           H        VAL  33  -2.160   8.814  -0.945
   41    HA   VAL  33           HA       VAL  33  -3.847  10.199   0.763
   42    HB   VAL  33           HB       VAL  33  -1.300   9.906   0.907
   43   HG11  VAL  33          1HG1      VAL  33  -1.055  11.120  -1.365
   44   HG12  VAL  33          2HG1      VAL  33  -1.191  12.595  -0.405
   45   HG13  VAL  33          3HG1      VAL  33   0.115  11.451  -0.088
   46   HG21  VAL  33          1HG2      VAL  33  -1.496  11.216   2.695
   47   HG22  VAL  33          2HG2      VAL  33  -1.648  12.660   1.694
   48   HG23  VAL  33          3HG2      VAL  33  -3.078  11.705   2.087
   49    H    ALA  34           H        ALA  34  -2.926  10.919  -2.503
   50    HA   ALA  34           HA       ALA  34  -3.533  12.557  -3.962
   51    HB1  ALA  34          1HB       ALA  34  -5.792  12.637  -1.996
   52    HB2  ALA  34          2HB       ALA  34  -5.730  13.757  -3.358
   53    HB3  ALA  34          3HB       ALA  34  -5.774  12.018  -3.647
   54    H    TRP  35           H        TRP  35  -4.269  15.040  -3.970
   55    HA   TRP  35           HA       TRP  35  -3.524  17.164  -3.633
   56    HB2  TRP  35          2HB       TRP  35  -3.553  16.251  -0.748
   57    HB3  TRP  35          3HB       TRP  35  -3.458  17.927  -1.280
   58    HD1  TRP  35           HD1      TRP  35  -5.912  15.464  -0.172
   59    HE1  TRP  35           HE1      TRP  35  -8.304  16.189  -0.786
   60    HE3  TRP  35           HE3      TRP  35  -4.804  19.174  -3.510
   61    HZ2  TRP  35           HZ2      TRP  35  -9.556  18.083  -2.464
   62    HZ3  TRP  35           HZ3      TRP  35  -6.657  20.393  -4.576
   63    HH2  TRP  35           HH2      TRP  35  -8.983  19.857  -4.062
  Start of MODEL    4
    1    H1   GLN  27           H        GLN  27  -2.042   1.216  -3.122
    2    HA   GLN  27           HA       GLN  27  -0.092   0.033  -1.446
    3    HB2  GLN  27          2HB       GLN  27  -0.310   0.800  -4.281
    4    HB3  GLN  27          3HB       GLN  27   1.328   0.806  -3.641
    5    HG2  GLN  27          2HG       GLN  27   0.329  -1.565  -2.700
    6    HG3  GLN  27          3HG       GLN  27  -0.425  -1.426  -4.287
    7   HE21  GLN  27          1HE2      GLN  27   1.375  -3.425  -3.712
    8   HE22  GLN  27          2HE2      GLN  27   2.823  -3.172  -4.618
    9    H    ASP  28           H        ASP  28   0.419   2.954  -3.408
   10    HA   ASP  28           HA       ASP  28   2.409   3.923  -1.585
   11    HB2  ASP  28          2HB       ASP  28   1.147   5.074  -4.072
   12    HB3  ASP  28          3HB       ASP  28   2.337   5.959  -3.121
   13    H    VAL  29           H        VAL  29   1.494   4.358   0.388
   14    HA   VAL  29           HA       VAL  29  -0.935   5.590   0.905
   15    HB   VAL  29           HB       VAL  29  -0.100   6.110   3.111
   16   HG11  VAL  29          1HG1      VAL  29   1.400   3.653   2.911
   17   HG12  VAL  29          2HG1      VAL  29  -0.164   3.958   3.671
   18   HG13  VAL  29          3HG1      VAL  29  -0.077   3.577   1.950
   19   HG21  VAL  29          1HG2      VAL  29   2.481   5.358   3.344
   20   HG22  VAL  29          2HG2      VAL  29   2.502   6.067   1.729
   21   HG23  VAL  29          3HG2      VAL  29   1.962   7.026   3.107
   22    H    ASN  30           H        ASN  30   1.826   6.925  -0.520
   23    HA   ASN  30           HA       ASN  30   1.139   9.660   0.264
   24    HB2  ASN  30          2HB       ASN  30   3.548   8.717   0.214
   25    HB3  ASN  30          3HB       ASN  30   3.428   8.897  -1.534
   26   HD21  ASN  30          1HD2      ASN  30   2.835  11.061  -2.325
   27   HD22  ASN  30          2HD2      ASN  30   3.439  12.436  -1.470
   28    H    THR  31           H        THR  31   0.761   7.439  -2.312
   29    HA   THR  31           HA       THR  31   0.546   9.254  -4.475
   30    HB   THR  31           HB       THR  31   0.829   6.730  -4.632
   31    HG1  THR  31           HG1      THR  31   0.031   6.838  -6.643
   32   HG21  THR  31          1HG2      THR  31  -0.792   5.345  -3.972
   33   HG22  THR  31          2HG2      THR  31  -2.006   6.237  -4.890
   34   HG23  THR  31          3HG2      THR  31  -1.596   6.738  -3.250
   35    H    ALA  32           H        ALA  32  -1.388   8.853  -1.787
   36    HA   ALA  32           HA       ALA  32  -3.659  10.133  -3.158
   37    HB1  ALA  32          1HB       ALA  32  -4.594   8.075  -2.739
   38    HB2  ALA  32          2HB       ALA  32  -3.670   7.835  -1.256
   39    HB3  ALA  32          3HB       ALA  32  -5.033   8.954  -1.274
   40    H    VAL  33           H        VAL  33  -1.545   9.973  -0.424
   41    HA   VAL  33           HA       VAL  33  -2.879  11.508   1.460
   42    HB   VAL  33           HB       VAL  33  -0.601  10.339   1.659
   43   HG11  VAL  33          1HG1      VAL  33   1.346  11.461   1.088
   44   HG12  VAL  33          2HG1      VAL  33   0.290  11.798  -0.285
   45   HG13  VAL  33          3HG1      VAL  33   0.532  13.020   0.964
   46   HG21  VAL  33          1HG2      VAL  33  -1.657  11.599   3.470
   47   HG22  VAL  33          2HG2      VAL  33   0.093  11.818   3.473
   48   HG23  VAL  33          3HG2      VAL  33  -0.953  13.091   2.845
   49    H    ALA  34           H        ALA  34  -2.767  13.735   2.006
   50    HA   ALA  34           HA       ALA  34  -3.013  15.952   1.545
   51    HB1  ALA  34          1HB       ALA  34  -0.510  15.181   0.147
   52    HB2  ALA  34          2HB       ALA  34  -1.188  16.775  -0.188
   53    HB3  ALA  34          3HB       ALA  34  -0.767  16.326   1.465
   54    H    TRP  35           H        TRP  35  -5.020  14.921   0.413
   55    HA   TRP  35           HA       TRP  35  -5.013  15.777  -2.408
   56    HB2  TRP  35          2HB       TRP  35  -5.675  13.278  -1.386
   57    HB3  TRP  35          3HB       TRP  35  -7.235  14.049  -1.658
   58    HD1  TRP  35           HD1      TRP  35  -3.955  13.732  -3.735
   59    HE1  TRP  35           HE1      TRP  35  -4.617  13.173  -6.159
   60    HE3  TRP  35           HE3      TRP  35  -9.039  13.678  -3.197
   61    HZ2  TRP  35           HZ2      TRP  35  -6.981  12.764  -7.646
   62    HZ3  TRP  35           HZ3      TRP  35 -10.429  13.195  -5.169
   63    HH2  TRP  35           HH2      TRP  35  -9.419  12.748  -7.347
  Start of MODEL    5
    1    H1   GLN  27           H        GLN  27   1.453  -0.766  -0.825
    2    HA   GLN  27           HA       GLN  27   1.589   0.350  -2.918
    3    HB2  GLN  27          2HB       GLN  27  -1.250   0.832  -2.240
    4    HB3  GLN  27          3HB       GLN  27  -0.453   2.105  -3.156
    5    HG2  GLN  27          2HG       GLN  27  -1.007   0.924  -4.955
    6    HG3  GLN  27          3HG       GLN  27   0.316  -0.148  -4.499
    7   HE21  GLN  27          1HE2      GLN  27  -0.130  -2.146  -3.656
    8   HE22  GLN  27          2HE2      GLN  27  -1.718  -2.826  -3.622
    9    H    ASP  28           H        ASP  28   1.736   2.795  -3.411
   10    HA   ASP  28           HA       ASP  28   3.235   3.997  -1.339
   11    HB2  ASP  28          2HB       ASP  28   2.172   5.045  -3.961
   12    HB3  ASP  28          3HB       ASP  28   3.137   6.036  -2.871
   13    H    VAL  29           H        VAL  29   2.047   4.308   0.507
   14    HA   VAL  29           HA       VAL  29  -0.543   5.274   0.724
   15    HB   VAL  29           HB       VAL  29  -0.042   5.849   3.016
   16   HG11  VAL  29          1HG1      VAL  29  -0.141   3.436   2.275
   17   HG12  VAL  29          2HG1      VAL  29   1.622   3.432   2.348
   18   HG13  VAL  29          3HG1      VAL  29   0.678   3.738   3.807
   19   HG21  VAL  29          1HG2      VAL  29   2.713   5.234   3.244
   20   HG22  VAL  29          2HG2      VAL  29   2.538   6.437   1.967
   21   HG23  VAL  29          3HG2      VAL  29   1.902   6.764   3.579
   22    H    ASN  30           H        ASN  30   2.215   6.908  -0.351
   23    HA   ASN  30           HA       ASN  30   1.155   9.546   0.344
   24    HB2  ASN  30          2HB       ASN  30   3.306  10.406  -0.507
   25    HB3  ASN  30          3HB       ASN  30   3.538   9.194   0.749
   26   HD21  ASN  30          1HD2      ASN  30   5.169   7.912   0.332
   27   HD22  ASN  30          2HD2      ASN  30   5.650   7.339  -1.225
   28    H    THR  31           H        THR  31   1.328   7.332  -2.260
   29    HA   THR  31           HA       THR  31   1.189   9.145  -4.432
   30    HB   THR  31           HB       THR  31   1.753   6.665  -4.554
   31    HG1  THR  31           HG1      THR  31   1.190   8.104  -6.382
   32   HG21  THR  31          1HG2      THR  31  -0.962   5.883  -5.159
   33   HG22  THR  31          2HG2      THR  31  -0.810   6.402  -3.480
   34   HG23  THR  31          3HG2      THR  31   0.218   5.111  -4.101
   35    H    ALA  32           H        ALA  32  -1.005   8.509  -2.001
   36    HA   ALA  32           HA       ALA  32  -3.213   9.562  -3.640
   37    HB1  ALA  32          1HB       ALA  32  -4.675   8.223  -1.936
   38    HB2  ALA  32          2HB       ALA  32  -3.973   7.413  -3.337
   39    HB3  ALA  32          3HB       ALA  32  -3.214   7.251  -1.754
   40    H    VAL  33           H        VAL  33  -1.445   9.586  -0.665
   41    HA   VAL  33           HA       VAL  33  -3.152  10.951   1.039
   42    HB   VAL  33           HB       VAL  33  -0.807  10.020   1.517
   43   HG11  VAL  33          1HG1      VAL  33   0.161  11.586  -0.300
   44   HG12  VAL  33          2HG1      VAL  33   0.117  12.813   0.967
   45   HG13  VAL  33          3HG1      VAL  33   1.068  11.345   1.193
   46   HG21  VAL  33          1HG2      VAL  33  -1.983  10.971   3.308
   47   HG22  VAL  33          2HG2      VAL  33  -0.435  11.817   3.299
   48   HG23  VAL  33          3HG2      VAL  33  -1.870  12.597   2.634
   49    H    ALA  34           H        ALA  34  -3.590  13.099   1.447
   50    HA   ALA  34           HA       ALA  34  -3.947  15.301   0.994
   51    HB1  ALA  34          1HB       ALA  34  -1.243  14.953   0.776
   52    HB2  ALA  34          2HB       ALA  34  -1.652  15.700  -0.769
   53    HB3  ALA  34          3HB       ALA  34  -2.080  16.506   0.740
   54    H    TRP  35           H        TRP  35  -4.228  16.903  -0.869
   55    HA   TRP  35           HA       TRP  35  -4.851  15.522  -3.384
   56    HB2  TRP  35          2HB       TRP  35  -6.834  16.057  -1.651
   57    HB3  TRP  35          3HB       TRP  35  -6.769  17.605  -2.490
   58    HD1  TRP  35           HD1      TRP  35  -7.384  17.600  -5.120
   59    HE1  TRP  35           HE1      TRP  35  -8.791  15.967  -6.526
   60    HE3  TRP  35           HE3      TRP  35  -7.457  13.623  -1.909
   61    HZ2  TRP  35           HZ2      TRP  35  -9.799  13.339  -6.302
   62    HZ3  TRP  35           HZ3      TRP  35  -8.665  11.587  -2.581
   63    HH2  TRP  35           HH2      TRP  35  -9.812  11.451  -4.732
  Start of MODEL    6
    1    H1   GLN  27           H        GLN  27   3.390  -1.142  -4.008
    2    HA   GLN  27           HA       GLN  27   1.171   0.316  -3.134
    3    HB2  GLN  27          2HB       GLN  27   3.699  -0.294  -1.593
    4    HB3  GLN  27          3HB       GLN  27   2.144   0.146  -0.898
    5    HG2  GLN  27          2HG       GLN  27   2.717  -2.341  -2.495
    6    HG3  GLN  27          3HG       GLN  27   2.562  -2.248  -0.741
    7   HE21  GLN  27          1HE2      GLN  27   0.623  -2.553   0.112
    8   HE22  GLN  27          2HE2      GLN  27  -0.870  -2.558  -0.756
    9    H    ASP  28           H        ASP  28   0.846   2.396  -2.537
   10    HA   ASP  28           HA       ASP  28   3.084   4.227  -2.285
   11    HB2  ASP  28          2HB       ASP  28   1.025   4.445  -4.479
   12    HB3  ASP  28          3HB       ASP  28   1.957   5.831  -3.921
   13    H    VAL  29           H        VAL  29   2.480   4.645  -0.192
   14    HA   VAL  29           HA       VAL  29  -0.079   5.039   0.797
   15    HB   VAL  29           HB       VAL  29   1.815   4.789   2.286
   16   HG11  VAL  29          1HG1      VAL  29   3.507   5.953   1.008
   17   HG12  VAL  29          2HG1      VAL  29   2.685   7.493   1.270
   18   HG13  VAL  29          3HG1      VAL  29   3.412   6.636   2.631
   19   HG21  VAL  29          1HG2      VAL  29  -0.257   6.080   2.972
   20   HG22  VAL  29          2HG2      VAL  29   1.186   6.338   3.952
   21   HG23  VAL  29          3HG2      VAL  29   0.703   7.543   2.759
   22    H    ASN  30           H        ASN  30   1.654   6.986  -1.361
   23    HA   ASN  30           HA       ASN  30   0.163   9.407  -0.669
   24    HB2  ASN  30          2HB       ASN  30   2.219   9.125  -2.859
   25    HB3  ASN  30          3HB       ASN  30   1.668  10.601  -2.071
   26   HD21  ASN  30          1HD2      ASN  30   2.415  11.100  -0.009
   27   HD22  ASN  30          2HD2      ASN  30   3.813  10.340   0.666
   28    H    THR  31           H        THR  31   0.142   6.793  -2.879
   29    HA   THR  31           HA       THR  31  -1.153   8.035  -5.070
   30    HB   THR  31           HB       THR  31   0.012   5.773  -5.076
   31    HG1  THR  31           HG1      THR  31  -2.570   5.526  -6.178
   32   HG21  THR  31          1HG2      THR  31  -1.924   5.181  -3.151
   33   HG22  THR  31          2HG2      THR  31  -0.814   4.049  -3.924
   34   HG23  THR  31          3HG2      THR  31  -2.426   4.300  -4.593
   35    H    ALA  32           H        ALA  32  -2.231   7.448  -1.966
   36    HA   ALA  32           HA       ALA  32  -5.036   7.627  -2.845
   37    HB1  ALA  32          1HB       ALA  32  -3.819   5.813  -0.814
   38    HB2  ALA  32          2HB       ALA  32  -5.475   6.377  -0.593
   39    HB3  ALA  32          3HB       ALA  32  -5.038   5.472  -2.042
   40    H    VAL  33           H        VAL  33  -2.519   8.663  -0.713
   41    HA   VAL  33           HA       VAL  33  -3.924   9.932   1.311
   42    HB   VAL  33           HB       VAL  33  -1.385   9.674   1.033
   43   HG11  VAL  33          1HG1      VAL  33  -0.159  11.286  -0.095
   44   HG12  VAL  33          2HG1      VAL  33  -1.520  11.010  -1.183
   45   HG13  VAL  33          3HG1      VAL  33  -1.502  12.427  -0.133
   46   HG21  VAL  33          1HG2      VAL  33  -2.498  12.291   2.040
   47   HG22  VAL  33          2HG2      VAL  33  -2.452  10.776   2.941
   48   HG23  VAL  33          3HG2      VAL  33  -0.948  11.581   2.493
   49    H    ALA  34           H        ALA  34  -4.604  12.086   1.625
   50    HA   ALA  34           HA       ALA  34  -5.925  13.239  -0.618
   51    HB1  ALA  34          1HB       ALA  34  -6.779  14.860   0.908
   52    HB2  ALA  34          2HB       ALA  34  -6.760  13.304   1.739
   53    HB3  ALA  34          3HB       ALA  34  -5.513  14.502   2.084
   54    H    TRP  35           H        TRP  35  -4.222  13.700  -2.085
   55    HA   TRP  35           HA       TRP  35  -2.675  15.015  -3.112
   56    HB2  TRP  35          2HB       TRP  35  -3.957  16.987  -1.229
   57    HB3  TRP  35          3HB       TRP  35  -2.681  17.466  -2.344
   58    HD1  TRP  35           HD1      TRP  35  -5.625  15.089  -3.147
   59    HE1  TRP  35           HE1      TRP  35  -6.964  16.108  -5.094
   60    HE3  TRP  35           HE3      TRP  35  -3.122  19.521  -3.620
   61    HZ2  TRP  35           HZ2      TRP  35  -6.960  18.478  -6.628
   62    HZ3  TRP  35           HZ3      TRP  35  -3.852  21.109  -5.352
   63    HH2  TRP  35           HH2      TRP  35  -5.731  20.596  -6.825
  Start of MODEL    7
    1    H1   GLN  27           H        GLN  27   1.807  -0.466  -0.821
    2    HA   GLN  27           HA       GLN  27   1.155   0.171  -3.436
    3    HB2  GLN  27          2HB       GLN  27  -0.958   1.495  -3.044
    4    HB3  GLN  27          3HB       GLN  27  -1.145  -0.254  -3.013
    5    HG2  GLN  27          2HG       GLN  27  -0.592   0.866  -0.389
    6    HG3  GLN  27          3HG       GLN  27  -2.059   1.514  -1.121
    7   HE21  GLN  27          1HE2      GLN  27  -0.791  -0.951   0.697
    8   HE22  GLN  27          2HE2      GLN  27  -2.068  -2.102   0.531
    9    H    ASP  28           H        ASP  28   1.455   2.388  -3.922
   10    HA   ASP  28           HA       ASP  28   3.200   3.738  -2.138
   11    HB2  ASP  28          2HB       ASP  28   1.886   4.548  -4.729
   12    HB3  ASP  28          3HB       ASP  28   2.956   5.627  -3.839
   13    H    VAL  29           H        VAL  29   2.207   4.240  -0.220
   14    HA   VAL  29           HA       VAL  29  -0.341   5.260   0.164
   15    HB   VAL  29           HB       VAL  29   0.991   4.482   2.031
   16   HG11  VAL  29          1HG1      VAL  29   2.698   6.939   1.659
   17   HG12  VAL  29          2HG1      VAL  29   2.894   5.685   2.885
   18   HG13  VAL  29          3HG1      VAL  29   3.170   5.308   1.184
   19   HG21  VAL  29          1HG2      VAL  29   0.235   5.992   3.611
   20   HG22  VAL  29          2HG2      VAL  29   0.609   7.392   2.605
   21   HG23  VAL  29          3HG2      VAL  29  -0.781   6.376   2.221
   22    H    ASN  30           H        ASN  30   2.306   6.747  -1.328
   23    HA   ASN  30           HA       ASN  30   1.330   9.453  -0.790
   24    HB2  ASN  30          2HB       ASN  30   3.759   8.645  -2.397
   25    HB3  ASN  30          3HB       ASN  30   3.386  10.242  -1.755
   26   HD21  ASN  30          1HD2      ASN  30   3.570  10.607   0.477
   27   HD22  ASN  30          2HD2      ASN  30   4.532   9.579   1.478
   28    H    THR  31           H        THR  31   1.230   6.999  -3.175
   29    HA   THR  31           HA       THR  31   0.879   8.598  -5.485
   30    HB   THR  31           HB       THR  31   1.415   6.111  -5.424
   31    HG1  THR  31           HG1      THR  31  -0.691   7.062  -7.097
   32   HG21  THR  31          1HG2      THR  31  -1.350   5.311  -5.675
   33   HG22  THR  31          2HG2      THR  31  -1.030   5.991  -4.079
   34   HG23  THR  31          3HG2      THR  31  -0.074   4.631  -4.666
   35    H    ALA  32           H        ALA  32  -1.061   8.225  -2.796
   36    HA   ALA  32           HA       ALA  32  -3.418   9.155  -4.297
   37    HB1  ALA  32          1HB       ALA  32  -3.241   7.028  -2.213
   38    HB2  ALA  32          2HB       ALA  32  -4.708   7.999  -2.341
   39    HB3  ALA  32          3HB       ALA  32  -4.154   7.053  -3.722
   40    H    VAL  33           H        VAL  33  -1.350   9.437  -1.541
   41    HA   VAL  33           HA       VAL  33  -2.867  10.969   0.200
   42    HB   VAL  33           HB       VAL  33  -0.484  10.067   0.512
   43   HG11  VAL  33          1HG1      VAL  33   1.345  11.334  -0.138
   44   HG12  VAL  33          2HG1      VAL  33   0.279  11.454  -1.539
   45   HG13  VAL  33          3HG1      VAL  33   0.378  12.787  -0.388
   46   HG21  VAL  33          1HG2      VAL  33   0.005  11.705   2.225
   47   HG22  VAL  33          2HG2      VAL  33  -1.084  12.866   1.466
   48   HG23  VAL  33          3HG2      VAL  33  -1.730  11.389   2.182
   49    H    ALA  34           H        ALA  34  -3.180  13.178   0.490
   50    HA   ALA  34           HA       ALA  34  -3.550  15.342  -0.111
   51    HB1  ALA  34          1HB       ALA  34  -1.866  16.515  -1.235
   52    HB2  ALA  34          2HB       ALA  34  -1.017  15.196  -0.428
   53    HB3  ALA  34          3HB       ALA  34  -1.365  15.096  -2.154
   54    H    TRP  35           H        TRP  35  -4.070  16.769  -2.087
   55    HA   TRP  35           HA       TRP  35  -5.005  15.264  -4.396
   56    HB2  TRP  35          2HB       TRP  35  -6.903  16.908  -2.707
   57    HB3  TRP  35          3HB       TRP  35  -7.298  16.092  -4.217
   58    HD1  TRP  35           HD1      TRP  35  -7.102  13.304  -4.112
   59    HE1  TRP  35           HE1      TRP  35  -7.727  11.731  -2.173
   60    HE3  TRP  35           HE3      TRP  35  -7.053  16.684  -0.276
   61    HZ2  TRP  35           HZ2      TRP  35  -8.145  11.900   0.613
   62    HZ3  TRP  35           HZ3      TRP  35  -7.577  15.897   1.995
   63    HH2  TRP  35           HH2      TRP  35  -8.112  13.554   2.429
  Start of MODEL    8
    1    H1   GLN  27           H        GLN  27   4.323  -0.241  -1.973
    2    HA   GLN  27           HA       GLN  27   2.096   0.804  -3.304
    3    HB2  GLN  27          2HB       GLN  27   2.693  -0.248  -0.706
    4    HB3  GLN  27          3HB       GLN  27   1.721   1.206  -0.527
    5    HG2  GLN  27          2HG       GLN  27  -0.005   0.296  -1.919
    6    HG3  GLN  27          3HG       GLN  27   0.990  -1.107  -2.304
    7   HE21  GLN  27          1HE2      GLN  27  -1.668  -0.893  -1.051
    8   HE22  GLN  27          2HE2      GLN  27  -1.538  -1.729   0.455
    9    H    ASP  28           H        ASP  28   1.931   2.811  -4.050
   10    HA   ASP  28           HA       ASP  28   3.368   5.022  -3.031
   11    HB2  ASP  28          2HB       ASP  28   1.026   4.802  -4.919
   12    HB3  ASP  28          3HB       ASP  28   1.747   6.351  -4.490
   13    H    VAL  29           H        VAL  29   2.989   5.368  -0.874
   14    HA   VAL  29           HA       VAL  29   0.562   5.299   0.462
   15    HB   VAL  29           HB       VAL  29   2.654   5.442   1.673
   16   HG11  VAL  29          1HG1      VAL  29   4.155   6.770   0.605
   17   HG12  VAL  29          2HG1      VAL  29   2.939   7.961   0.140
   18   HG13  VAL  29          3HG1      VAL  29   3.570   7.940   1.787
   19   HG21  VAL  29          1HG2      VAL  29   0.456   6.383   2.599
   20   HG22  VAL  29          2HG2      VAL  29   1.951   6.818   3.428
   21   HG23  VAL  29          3HG2      VAL  29   1.180   7.970   2.337
   22    H    ASN  30           H        ASN  30   1.585   7.486  -1.909
   23    HA   ASN  30           HA       ASN  30  -0.226   9.601  -1.009
   24    HB2  ASN  30          2HB       ASN  30   2.063   9.451  -2.899
   25    HB3  ASN  30          3HB       ASN  30   0.785  10.599  -3.286
   26   HD21  ASN  30          1HD2      ASN  30   3.408   9.837  -1.205
   27   HD22  ASN  30          2HD2      ASN  30   3.395  11.303  -0.291
   28    H    THR  31           H        THR  31  -0.056   6.980  -3.204
   29    HA   THR  31           HA       THR  31  -1.850   7.907  -5.189
   30    HB   THR  31           HB       THR  31  -0.292   5.903  -5.365
   31    HG1  THR  31           HG1      THR  31  -2.914   5.167  -6.097
   32   HG21  THR  31          1HG2      THR  31  -1.799   5.003  -3.192
   33   HG22  THR  31          2HG2      THR  31  -0.612   4.082  -4.115
   34   HG23  THR  31          3HG2      THR  31  -2.318   4.012  -4.554
   35    H    ALA  32           H        ALA  32  -2.363   7.200  -1.968
   36    HA   ALA  32           HA       ALA  32  -5.245   6.830  -2.449
   37    HB1  ALA  32          1HB       ALA  32  -5.128   5.573  -0.161
   38    HB2  ALA  32          2HB       ALA  32  -4.732   4.732  -1.661
   39    HB3  ALA  32          3HB       ALA  32  -3.442   5.322  -0.613
   40    H    VAL  33           H        VAL  33  -2.701   8.367  -0.683
   41    HA   VAL  33           HA       VAL  33  -4.029   9.397   1.521
   42    HB   VAL  33           HB       VAL  33  -1.549   9.613   0.893
   43   HG11  VAL  33          1HG1      VAL  33  -0.815  11.399  -0.389
   44   HG12  VAL  33          2HG1      VAL  33  -2.235  10.848  -1.279
   45   HG13  VAL  33          3HG1      VAL  33  -2.341  12.268  -0.237
   46   HG21  VAL  33          1HG2      VAL  33  -2.936  10.723   2.824
   47   HG22  VAL  33          2HG2      VAL  33  -1.268  11.210   2.520
   48   HG23  VAL  33          3HG2      VAL  33  -2.598  12.204   1.927
   49    H    ALA  34           H        ALA  34  -5.001  11.438   1.931
   50    HA   ALA  34           HA       ALA  34  -6.747  12.300  -0.192
   51    HB1  ALA  34          1HB       ALA  34  -6.522  12.810   2.724
   52    HB2  ALA  34          2HB       ALA  34  -7.371  14.003   1.740
   53    HB3  ALA  34          3HB       ALA  34  -7.919  12.327   1.761
   54    H    TRP  35           H        TRP  35  -6.581  14.078  -1.423
   55    HA   TRP  35           HA       TRP  35  -4.384  15.950  -0.826
   56    HB2  TRP  35          2HB       TRP  35  -4.775  14.372  -3.117
   57    HB3  TRP  35          3HB       TRP  35  -5.210  16.011  -3.594
   58    HD1  TRP  35           HD1      TRP  35  -2.253  14.379  -1.656
   59    HE1  TRP  35           HE1      TRP  35  -0.082  15.515  -2.442
   60    HE3  TRP  35           HE3      TRP  35  -4.244  17.743  -4.951
   61    HZ2  TRP  35           HZ2      TRP  35   0.686  17.567  -4.222
   62    HZ3  TRP  35           HZ3      TRP  35  -2.722  19.257  -6.154
   63    HH2  TRP  35           HH2      TRP  35  -0.309  19.169  -5.795
  Start of MODEL    9
    1    H1   GLN  27           H        GLN  27   0.814   0.759  -4.123
    2    HA   GLN  27           HA       GLN  27  -0.429   0.352  -1.525
    3    HB2  GLN  27          2HB       GLN  27   2.340  -0.726  -2.021
    4    HB3  GLN  27          3HB       GLN  27   1.331  -0.948  -0.598
    5    HG2  GLN  27          2HG       GLN  27   0.877  -2.935  -1.508
    6    HG3  GLN  27          3HG       GLN  27  -0.246  -2.024  -2.515
    7   HE21  GLN  27          1HE2      GLN  27   0.094  -1.907  -4.658
    8   HE22  GLN  27          2HE2      GLN  27   1.433  -2.627  -5.478
    9    H    ASP  28           H        ASP  28   0.425   2.615  -3.231
   10    HA   ASP  28           HA       ASP  28   2.682   3.766  -1.815
   11    HB2  ASP  28          2HB       ASP  28   0.950   4.731  -4.088
   12    HB3  ASP  28          3HB       ASP  28   2.162   5.757  -3.326
   13    H    VAL  29           H        VAL  29   2.034   4.140   0.272
   14    HA   VAL  29           HA       VAL  29  -0.406   5.121   1.149
   15    HB   VAL  29           HB       VAL  29   1.221   4.234   2.708
   16   HG11  VAL  29          1HG1      VAL  29   3.188   5.641   3.364
   17   HG12  VAL  29          2HG1      VAL  29   3.283   4.947   1.745
   18   HG13  VAL  29          3HG1      VAL  29   2.859   6.646   1.953
   19   HG21  VAL  29          1HG2      VAL  29  -0.489   5.978   3.405
   20   HG22  VAL  29          2HG2      VAL  29   0.874   5.730   4.496
   21   HG23  VAL  29          3HG2      VAL  29   0.846   7.130   3.424
   22    H    ASN  30           H        ASN  30   1.956   6.713  -0.677
   23    HA   ASN  30           HA       ASN  30   1.102   9.374   0.189
   24    HB2  ASN  30          2HB       ASN  30   2.924  10.160  -1.354
   25    HB3  ASN  30          3HB       ASN  30   3.482   9.148  -0.025
   26   HD21  ASN  30          1HD2      ASN  30   4.532   7.302  -0.459
   27   HD22  ASN  30          2HD2      ASN  30   4.828   6.693  -2.048
   28    H    THR  31           H        THR  31   0.582   7.075  -2.293
   29    HA   THR  31           HA       THR  31  -0.149   8.815  -4.404
   30    HB   THR  31           HB       THR  31   0.377   6.332  -4.593
   31    HG1  THR  31           HG1      THR  31  -0.414   7.318  -6.406
   32   HG21  THR  31          1HG2      THR  31  -1.804   6.113  -2.861
   33   HG22  THR  31          2HG2      THR  31  -0.969   4.798  -3.688
   34   HG23  THR  31          3HG2      THR  31  -2.394   5.535  -4.418
   35    H    ALA  32           H        ALA  32  -1.604   8.263  -1.452
   36    HA   ALA  32           HA       ALA  32  -4.178   9.270  -2.468
   37    HB1  ALA  32          1HB       ALA  32  -4.815   7.134  -1.908
   38    HB2  ALA  32          2HB       ALA  32  -3.658   7.019  -0.581
   39    HB3  ALA  32          3HB       ALA  32  -5.120   7.988  -0.395
   40    H    VAL  33           H        VAL  33  -1.670   9.390  -0.090
   41    HA   VAL  33           HA       VAL  33  -2.861  10.806   1.974
   42    HB   VAL  33           HB       VAL  33  -0.466   9.893   1.823
   43   HG11  VAL  33          1HG1      VAL  33   0.247  12.668   0.957
   44   HG12  VAL  33          2HG1      VAL  33   1.237  11.207   0.956
   45   HG13  VAL  33          3HG1      VAL  33  -0.048  11.405  -0.237
   46   HG21  VAL  33          1HG2      VAL  33  -1.035  10.865   3.849
   47   HG22  VAL  33          2HG2      VAL  33   0.352  11.830   3.342
   48   HG23  VAL  33          3HG2      VAL  33  -1.283  12.458   3.132
   49    H    ALA  34           H        ALA  34  -1.964  11.862  -1.207
   50    HA   ALA  34           HA       ALA  34  -2.207  14.679  -0.540
   51    HB1  ALA  34          1HB       ALA  34  -0.505  14.097  -2.128
   52    HB2  ALA  34          2HB       ALA  34  -1.680  13.273  -3.154
   53    HB3  ALA  34          3HB       ALA  34  -1.754  15.024  -2.959
   54    H    TRP  35           H        TRP  35  -3.891  15.995  -1.065
   55    HA   TRP  35           HA       TRP  35  -6.010  16.629  -1.593
   56    HB2  TRP  35          2HB       TRP  35  -5.154  14.938  -3.759
   57    HB3  TRP  35          3HB       TRP  35  -6.878  14.716  -3.477
   58    HD1  TRP  35           HD1      TRP  35  -4.448  17.036  -5.088
   59    HE1  TRP  35           HE1      TRP  35  -5.673  19.110  -5.993
   60    HE3  TRP  35           HE3      TRP  35  -8.976  16.364  -2.810
   61    HZ2  TRP  35           HZ2      TRP  35  -8.221  20.304  -5.771
   62    HZ3  TRP  35           HZ3      TRP  35 -10.753  18.018  -3.209
   63    HH2  TRP  35           HH2      TRP  35 -10.382  19.947  -4.658
  Start of MODEL   10
    1    H1   GLN  27           H        GLN  27  -0.819   0.081   0.485
    2    HA   GLN  27           HA       GLN  27   0.824  -0.872  -0.851
    3    HB2  GLN  27          2HB       GLN  27  -0.882  -1.281  -2.612
    4    HB3  GLN  27          3HB       GLN  27  -0.634   0.359  -3.195
    5    HG2  GLN  27          2HG       GLN  27   1.521  -0.111  -3.958
    6    HG3  GLN  27          3HG       GLN  27   1.630  -1.591  -3.006
    7   HE21  GLN  27          1HE2      GLN  27   1.467  -3.372  -4.143
    8   HE22  GLN  27          2HE2      GLN  27   0.584  -3.572  -5.614
    9    H    ASP  28           H        ASP  28  -0.323   2.402  -1.262
   10    HA   ASP  28           HA       ASP  28   2.366   3.406  -0.930
   11    HB2  ASP  28          2HB       ASP  28   0.812   3.839  -3.479
   12    HB3  ASP  28          3HB       ASP  28   2.100   4.925  -2.965
   13    H    VAL  29           H        VAL  29   1.694   4.414   0.928
   14    HA   VAL  29           HA       VAL  29  -0.658   5.817   1.351
   15    HB   VAL  29           HB       VAL  29   0.820   5.267   3.189
   16   HG11  VAL  29          1HG1      VAL  29   2.810   7.155   3.260
   17   HG12  VAL  29          2HG1      VAL  29   3.013   5.465   2.797
   18   HG13  VAL  29          3HG1      VAL  29   2.770   6.697   1.558
   19   HG21  VAL  29          1HG2      VAL  29   0.436   7.147   4.473
   20   HG22  VAL  29          2HG2      VAL  29   0.836   8.256   3.161
   21   HG23  VAL  29          3HG2      VAL  29  -0.697   7.384   3.142
   22    H    ASN  30           H        ASN  30   1.911   6.608  -0.705
   23    HA   ASN  30           HA       ASN  30   1.308   9.471  -0.667
   24    HB2  ASN  30          2HB       ASN  30   3.692   8.179  -0.900
   25    HB3  ASN  30          3HB       ASN  30   3.299   8.455  -2.595
   26   HD21  ASN  30          1HD2      ASN  30   4.670   9.753   0.144
   27   HD22  ASN  30          2HD2      ASN  30   4.733  11.409  -0.347
   28    H    THR  31           H        THR  31   0.633   6.619  -2.435
   29    HA   THR  31           HA       THR  31   0.150   7.747  -4.987
   30    HB   THR  31           HB       THR  31   0.423   5.275  -4.444
   31    HG1  THR  31           HG1      THR  31  -0.368   6.149  -6.486
   32   HG21  THR  31          1HG2      THR  31  -1.101   4.189  -3.227
   33   HG22  THR  31          2HG2      THR  31  -2.420   4.814  -4.217
   34   HG23  THR  31          3HG2      THR  31  -1.821   5.754  -2.851
   35    H    ALA  32           H        ALA  32  -1.445   8.187  -2.090
   36    HA   ALA  32           HA       ALA  32  -3.868   9.094  -3.496
   37    HB1  ALA  32          1HB       ALA  32  -4.739   7.269  -2.401
   38    HB2  ALA  32          2HB       ALA  32  -3.643   7.433  -1.028
   39    HB3  ALA  32          3HB       ALA  32  -5.003   8.541  -1.208
   40    H    VAL  33           H        VAL  33  -1.435   9.656  -1.104
   41    HA   VAL  33           HA       VAL  33  -2.536  11.698   0.412
   42    HB   VAL  33           HB       VAL  33  -0.242  10.571   0.657
   43   HG11  VAL  33          1HG1      VAL  33   1.609  11.426  -0.445
   44   HG12  VAL  33          2HG1      VAL  33   0.385  11.398  -1.717
   45   HG13  VAL  33          3HG1      VAL  33   0.777  12.913  -0.902
   46   HG21  VAL  33          1HG2      VAL  33  -0.267  13.558   1.024
   47   HG22  VAL  33          2HG2      VAL  33  -1.187  12.453   2.046
   48   HG23  VAL  33          3HG2      VAL  33   0.573  12.351   1.997
   49    H    ALA  34           H        ALA  34  -2.645  13.920   0.225
   50    HA   ALA  34           HA       ALA  34  -2.941  15.925  -0.812
   51    HB1  ALA  34          1HB       ALA  34  -0.482  15.709  -1.083
   52    HB2  ALA  34          2HB       ALA  34  -0.760  15.004  -2.676
   53    HB3  ALA  34          3HB       ALA  34  -1.253  16.665  -2.349
   54    H    TRP  35           H        TRP  35  -4.549  13.678  -1.647
   55    HA   TRP  35           HA       TRP  35  -6.095  13.123  -3.220
   56    HB2  TRP  35          2HB       TRP  35  -5.526  15.996  -3.847
   57    HB3  TRP  35          3HB       TRP  35  -6.563  15.066  -4.925
   58    HD1  TRP  35           HD1      TRP  35  -9.031  14.726  -4.199
   59    HE1  TRP  35           HE1      TRP  35 -10.416  15.411  -2.141
   60    HE3  TRP  35           HE3      TRP  35  -5.243  16.353  -1.176
   61    HZ2  TRP  35           HZ2      TRP  35  -9.963  16.497   0.425
   62    HZ3  TRP  35           HZ3      TRP  35  -5.804  17.200   1.065
   63    HH2  TRP  35           HH2      TRP  35  -8.116  17.270   1.847
  Start of MODEL   11
    1    H1   GLN  27           H        GLN  27  -0.378   0.326  -0.280
    2    HA   GLN  27           HA       GLN  27   2.444  -0.056   0.444
    3    HB2  GLN  27          2HB       GLN  27   0.958  -1.306  -1.493
    4    HB3  GLN  27          3HB       GLN  27   1.765  -0.041  -2.410
    5    HG2  GLN  27          2HG       GLN  27   3.124  -2.086  -0.670
    6    HG3  GLN  27          3HG       GLN  27   3.024  -2.128  -2.429
    7   HE21  GLN  27          1HE2      GLN  27   3.883  -0.130  -3.522
    8   HE22  GLN  27          2HE2      GLN  27   5.348   0.534  -2.891
    9    H    ASP  28           H        ASP  28   0.622   1.734  -2.048
   10    HA   ASP  28           HA       ASP  28   2.652   3.819  -2.020
   11    HB2  ASP  28          2HB       ASP  28   0.262   3.282  -3.779
   12    HB3  ASP  28          3HB       ASP  28   1.204   4.766  -3.898
   13    H    VAL  29           H        VAL  29   2.372   4.949  -0.132
   14    HA   VAL  29           HA       VAL  29  -0.010   5.692   1.072
   15    HB   VAL  29           HB       VAL  29   2.107   5.956   2.217
   16   HG11  VAL  29          1HG1      VAL  29   2.709   8.274   0.390
   17   HG12  VAL  29          2HG1      VAL  29   3.755   7.567   1.623
   18   HG13  VAL  29          3HG1      VAL  29   3.372   6.656   0.162
   19   HG21  VAL  29          1HG2      VAL  29   1.644   7.943   3.357
   20   HG22  VAL  29          2HG2      VAL  29   1.022   8.738   1.911
   21   HG23  VAL  29          3HG2      VAL  29   0.084   7.463   2.689
   22    H    ASN  30           H        ASN  30   1.260   6.744  -1.883
   23    HA   ASN  30           HA       ASN  30  -0.214   9.271  -1.834
   24    HB2  ASN  30          2HB       ASN  30   1.579   8.160  -4.003
   25    HB3  ASN  30          3HB       ASN  30   0.935   9.796  -3.909
   26   HD21  ASN  30          1HD2      ASN  30   3.706   8.615  -3.909
   27   HD22  ASN  30          2HD2      ASN  30   4.482   9.352  -2.553
   28    H    THR  31           H        THR  31  -0.464   6.051  -2.967
   29    HA   THR  31           HA       THR  31  -2.152   6.465  -5.203
   30    HB   THR  31           HB       THR  31  -0.896   4.329  -4.621
   31    HG1  THR  31           HG1      THR  31  -2.174   3.645  -6.152
   32   HG21  THR  31          1HG2      THR  31  -1.443   3.126  -2.822
   33   HG22  THR  31          2HG2      THR  31  -3.151   3.144  -3.259
   34   HG23  THR  31          3HG2      THR  31  -2.468   4.468  -2.317
   35    H    ALA  32           H        ALA  32  -2.690   7.010  -1.955
   36    HA   ALA  32           HA       ALA  32  -5.604   6.902  -2.361
   37    HB1  ALA  32          1HB       ALA  32  -5.617   6.523   0.224
   38    HB2  ALA  32          2HB       ALA  32  -5.375   5.163  -0.873
   39    HB3  ALA  32          3HB       ALA  32  -3.993   5.897  -0.060
   40    H    VAL  33           H        VAL  33  -2.831   8.589  -1.169
   41    HA   VAL  33           HA       VAL  33  -3.953  10.500   0.494
   42    HB   VAL  33           HB       VAL  33  -1.482  10.133  -0.095
   43   HG11  VAL  33          1HG1      VAL  33  -1.917  12.305  -2.107
   44   HG12  VAL  33          2HG1      VAL  33  -0.529  11.235  -1.899
   45   HG13  VAL  33          3HG1      VAL  33  -2.032  10.611  -2.580
   46   HG21  VAL  33          1HG2      VAL  33  -2.586  12.930   0.145
   47   HG22  VAL  33          2HG2      VAL  33  -2.229  11.828   1.475
   48   HG23  VAL  33          3HG2      VAL  33  -0.919  12.460   0.477
   49    H    ALA  34           H        ALA  34  -4.693  12.626   0.156
   50    HA   ALA  34           HA       ALA  34  -6.385  12.939  -2.118
   51    HB1  ALA  34          1HB       ALA  34  -7.328  14.680  -0.999
   52    HB2  ALA  34          2HB       ALA  34  -6.556  13.865   0.362
   53    HB3  ALA  34          3HB       ALA  34  -5.784  15.266  -0.380
   54    H    TRP  35           H        TRP  35  -3.313  14.355  -1.104
   55    HA   TRP  35           HA       TRP  35  -3.124  15.661  -3.739
   56    HB2  TRP  35          2HB       TRP  35  -2.028  16.480  -1.053
   57    HB3  TRP  35          3HB       TRP  35  -1.406  17.148  -2.559
   58    HD1  TRP  35           HD1      TRP  35  -3.542  18.225  -4.184
   59    HE1  TRP  35           HE1      TRP  35  -5.401  19.810  -3.374
   60    HE3  TRP  35           HE3      TRP  35  -3.337  17.225   0.826
   61    HZ2  TRP  35           HZ2      TRP  35  -6.619  20.541  -0.934
   62    HZ3  TRP  35           HZ3      TRP  35  -4.882  18.410   2.329
   63    HH2  TRP  35           HH2      TRP  35  -6.488  20.034   1.466
  Start of MODEL   12
    1    H1   GLN  27           H        GLN  27   0.772  -0.919  -4.344
    2    HA   GLN  27           HA       GLN  27  -0.584   0.692  -3.190
    3    HB2  GLN  27          2HB       GLN  27  -0.280   0.051  -0.801
    4    HB3  GLN  27          3HB       GLN  27  -0.368  -1.323  -1.896
    5    HG2  GLN  27          2HG       GLN  27   2.327  -0.284  -1.278
    6    HG3  GLN  27          3HG       GLN  27   1.465  -1.101   0.025
    7   HE21  GLN  27          1HE2      GLN  27   0.359  -3.196  -0.778
    8   HE22  GLN  27          2HE2      GLN  27   1.366  -4.243  -1.713
    9    H    ASP  28           H        ASP  28   0.836   2.539  -4.171
   10    HA   ASP  28           HA       ASP  28   2.766   3.814  -2.562
   11    HB2  ASP  28          2HB       ASP  28   0.981   4.815  -4.778
   12    HB3  ASP  28          3HB       ASP  28   2.158   5.852  -3.976
   13    H    VAL  29           H        VAL  29   2.117   4.064  -0.456
   14    HA   VAL  29           HA       VAL  29  -0.353   4.904   0.478
   15    HB   VAL  29           HB       VAL  29   1.318   4.010   1.985
   16   HG11  VAL  29          1HG1      VAL  29   2.926   6.215   0.903
   17   HG12  VAL  29          2HG1      VAL  29   3.078   5.968   2.644
   18   HG13  VAL  29          3HG1      VAL  29   3.426   4.645   1.531
   19   HG21  VAL  29          1HG2      VAL  29   0.848   6.850   2.848
   20   HG22  VAL  29          2HG2      VAL  29  -0.457   5.666   2.762
   21   HG23  VAL  29          3HG2      VAL  29   0.910   5.395   3.842
   22    H    ASN  30           H        ASN  30   1.932   6.674  -1.282
   23    HA   ASN  30           HA       ASN  30   0.978   9.254  -0.287
   24    HB2  ASN  30          2HB       ASN  30   3.170   8.608  -2.272
   25    HB3  ASN  30          3HB       ASN  30   2.771  10.219  -1.682
   26   HD21  ASN  30          1HD2      ASN  30   5.299   9.160  -1.439
   27   HD22  ASN  30          2HD2      ASN  30   5.640   8.876   0.231
   28    H    THR  31           H        THR  31   0.534   7.056  -2.873
   29    HA   THR  31           HA       THR  31  -0.280   8.862  -4.896
   30    HB   THR  31           HB       THR  31   0.342   6.413  -5.204
   31    HG1  THR  31           HG1      THR  31  -0.848   7.880  -6.744
   32   HG21  THR  31          1HG2      THR  31  -0.936   4.787  -4.365
   33   HG22  THR  31          2HG2      THR  31  -2.395   5.500  -5.054
   34   HG23  THR  31          3HG2      THR  31  -1.816   6.027  -3.474
   35    H    ALA  32           H        ALA  32  -1.692   8.114  -1.967
   36    HA   ALA  32           HA       ALA  32  -4.310   9.067  -2.921
   37    HB1  ALA  32          1HB       ALA  32  -5.188   7.652  -0.907
   38    HB2  ALA  32          2HB       ALA  32  -4.860   6.882  -2.460
   39    HB3  ALA  32          3HB       ALA  32  -3.690   6.751  -1.146
   40    H    VAL  33           H        VAL  33  -1.792   9.174  -0.554
   41    HA   VAL  33           HA       VAL  33  -3.022  10.439   1.583
   42    HB   VAL  33           HB       VAL  33  -0.593   9.635   1.373
   43   HG11  VAL  33          1HG1      VAL  33   0.000  12.475   0.638
   44   HG12  VAL  33          2HG1      VAL  33   1.047  11.056   0.556
   45   HG13  VAL  33          3HG1      VAL  33  -0.257  11.261  -0.615
   46   HG21  VAL  33          1HG2      VAL  33  -0.345  12.187   2.729
   47   HG22  VAL  33          2HG2      VAL  33  -1.862  11.373   3.114
   48   HG23  VAL  33          3HG2      VAL  33  -0.325  10.552   3.389
   49    H    ALA  34           H        ALA  34  -3.455  12.554   2.129
   50    HA   ALA  34           HA       ALA  34  -4.060  14.727   1.825
   51    HB1  ALA  34          1HB       ALA  34  -1.549  14.431   0.368
   52    HB2  ALA  34          2HB       ALA  34  -2.554  15.757  -0.218
   53    HB3  ALA  34          3HB       ALA  34  -2.076  15.696   1.478
   54    H    TRP  35           H        TRP  35  -4.746  16.358   0.005
   55    HA   TRP  35           HA       TRP  35  -6.239  16.848  -1.638
   56    HB2  TRP  35          2HB       TRP  35  -4.406  15.758  -3.010
   57    HB3  TRP  35          3HB       TRP  35  -5.362  14.279  -2.962
   58    HD1  TRP  35           HD1      TRP  35  -6.592  13.980  -5.175
   59    HE1  TRP  35           HE1      TRP  35  -7.804  15.517  -6.845
   60    HE3  TRP  35           HE3      TRP  35  -5.777  18.475  -2.880
   61    HZ2  TRP  35           HZ2      TRP  35  -8.343  18.271  -7.151
   62    HZ3  TRP  35           HZ3      TRP  35  -6.674  20.513  -3.927
   63    HH2  TRP  35           HH2      TRP  35  -7.930  20.411  -6.018
  Start of MODEL   13
    1    H1   GLN  27           H        GLN  27  -0.654   1.219  -5.810
    2    HA   GLN  27           HA       GLN  27  -0.468   0.881  -3.061
    3    HB2  GLN  27          2HB       GLN  27   0.478  -0.563  -4.985
    4    HB3  GLN  27          3HB       GLN  27   1.894   0.475  -4.875
    5    HG2  GLN  27          2HG       GLN  27   1.165  -0.433  -2.263
    6    HG3  GLN  27          3HG       GLN  27   1.297  -1.808  -3.358
    7   HE21  GLN  27          1HE2      GLN  27   3.285  -2.062  -4.540
    8   HE22  GLN  27          2HE2      GLN  27   4.765  -1.483  -3.862
    9    H    ASP  28           H        ASP  28  -0.589   3.430  -2.865
   10    HA   ASP  28           HA       ASP  28   1.998   4.224  -1.838
   11    HB2  ASP  28          2HB       ASP  28   0.648   5.694  -4.099
   12    HB3  ASP  28          3HB       ASP  28   1.821   6.470  -3.039
   13    H    VAL  29           H        VAL  29   1.111   4.316   0.192
   14    HA   VAL  29           HA       VAL  29  -1.347   5.361   0.932
   15    HB   VAL  29           HB       VAL  29  -0.003   4.091   2.497
   16   HG11  VAL  29          1HG1      VAL  29   2.215   4.680   2.003
   17   HG12  VAL  29          2HG1      VAL  29   1.904   6.399   2.252
   18   HG13  VAL  29          3HG1      VAL  29   1.935   5.299   3.630
   19   HG21  VAL  29          1HG2      VAL  29  -0.534   5.266   4.442
   20   HG22  VAL  29          2HG2      VAL  29  -0.213   6.832   3.698
   21   HG23  VAL  29          3HG2      VAL  29  -1.651   5.918   3.244
   22    H    ASN  30           H        ASN  30   1.340   7.004  -0.307
   23    HA   ASN  30           HA       ASN  30   0.569   9.558   0.895
   24    HB2  ASN  30          2HB       ASN  30   2.627  10.409  -0.281
   25    HB3  ASN  30          3HB       ASN  30   2.933   9.165   0.928
   26   HD21  ASN  30          1HD2      ASN  30   2.469   9.672  -2.532
   27   HD22  ASN  30          2HD2      ASN  30   3.484   8.369  -3.040
   28    H    THR  31           H        THR  31   0.217   7.744  -1.986
   29    HA   THR  31           HA       THR  31  -0.109   9.859  -3.841
   30    HB   THR  31           HB       THR  31   0.260   7.401  -4.387
   31    HG1  THR  31           HG1      THR  31  -0.207   8.349  -6.227
   32   HG21  THR  31          1HG2      THR  31  -1.297   5.871  -3.919
   33   HG22  THR  31          2HG2      THR  31  -2.560   6.843  -4.675
   34   HG23  THR  31          3HG2      THR  31  -2.137   7.107  -2.984
   35    H    ALA  32           H        ALA  32  -1.971   8.975  -1.217
   36    HA   ALA  32           HA       ALA  32  -4.313  10.365  -2.338
   37    HB1  ALA  32          1HB       ALA  32  -5.167   8.233  -2.231
   38    HB2  ALA  32          2HB       ALA  32  -4.205   7.801  -0.817
   39    HB3  ALA  32          3HB       ALA  32  -5.607   8.857  -0.641
   40    H    VAL  33           H        VAL  33  -2.131   9.873   0.298
   41    HA   VAL  33           HA       VAL  33  -3.477  11.037   2.423
   42    HB   VAL  33           HB       VAL  33  -1.151   9.951   2.395
   43   HG11  VAL  33          1HG1      VAL  33   0.735  11.228   1.964
   44   HG12  VAL  33          2HG1      VAL  33  -0.371  11.736   0.685
   45   HG13  VAL  33          3HG1      VAL  33  -0.139  12.753   2.108
   46   HG21  VAL  33          1HG2      VAL  33  -0.592  12.082   4.149
   47   HG22  VAL  33          2HG2      VAL  33  -2.346  11.897   4.119
   48   HG23  VAL  33          3HG2      VAL  33  -1.322  10.523   4.535
   49    H    ALA  34           H        ALA  34  -2.109  12.510  -0.404
   50    HA   ALA  34           HA       ALA  34  -3.366  15.014   0.205
   51    HB1  ALA  34          1HB       ALA  34  -0.423  15.276  -0.197
   52    HB2  ALA  34          2HB       ALA  34  -1.559  16.386   0.572
   53    HB3  ALA  34          3HB       ALA  34  -1.047  14.923   1.414
   54    H    TRP  35           H        TRP  35  -3.232  12.901  -1.888
   55    HA   TRP  35           HA       TRP  35  -3.226  12.699  -4.156
   56    HB2  TRP  35          2HB       TRP  35  -3.707  15.675  -3.919
   57    HB3  TRP  35          3HB       TRP  35  -3.871  14.765  -5.418
   58    HD1  TRP  35           HD1      TRP  35  -5.363  14.617  -1.829
   59    HE1  TRP  35           HE1      TRP  35  -7.836  13.934  -2.034
   60    HE3  TRP  35           HE3      TRP  35  -5.608  13.969  -6.894
   61    HZ2  TRP  35           HZ2      TRP  35  -9.650  13.216  -4.074
   62    HZ3  TRP  35           HZ3      TRP  35  -7.749  13.283  -7.893
   63    HH2  TRP  35           HH2      TRP  35  -9.727  12.914  -6.510
  Start of MODEL   14
    1    H1   GLN  27           H        GLN  27   2.337  -0.515  -1.425
    2    HA   GLN  27           HA       GLN  27   1.693   0.850  -3.956
    3    HB2  GLN  27          2HB       GLN  27  -0.030   0.214  -1.588
    4    HB3  GLN  27          3HB       GLN  27  -0.388   1.624  -2.576
    5    HG2  GLN  27          2HG       GLN  27  -0.131  -0.226  -4.502
    6    HG3  GLN  27          3HG       GLN  27  -0.697  -1.241  -3.176
    7   HE21  GLN  27          1HE2      GLN  27  -2.792  -1.191  -2.620
    8   HE22  GLN  27          2HE2      GLN  27  -3.976  -0.159  -3.339
    9    H    ASP  28           H        ASP  28   1.602   3.113  -3.929
   10    HA   ASP  28           HA       ASP  28   3.447   4.359  -2.150
   11    HB2  ASP  28          2HB       ASP  28   1.623   5.424  -4.304
   12    HB3  ASP  28          3HB       ASP  28   2.662   6.475  -3.345
   13    H    VAL  29           H        VAL  29   2.722   4.294  -0.056
   14    HA   VAL  29           HA       VAL  29   0.153   4.762   0.874
   15    HB   VAL  29           HB       VAL  29   1.871   3.874   2.332
   16   HG11  VAL  29          1HG1      VAL  29   3.695   5.204   3.180
   17   HG12  VAL  29          2HG1      VAL  29   3.745   5.207   1.416
   18   HG13  VAL  29          3HG1      VAL  29   3.130   6.614   2.284
   19   HG21  VAL  29          1HG2      VAL  29   1.093   6.528   3.503
   20   HG22  VAL  29          2HG2      VAL  29  -0.091   5.252   3.218
   21   HG23  VAL  29          3HG2      VAL  29   1.261   4.971   4.315
   22    H    ASN  30           H        ASN  30   2.282   6.949  -0.587
   23    HA   ASN  30           HA       ASN  30   1.036   9.285   0.659
   24    HB2  ASN  30          2HB       ASN  30   3.592   8.984   0.178
   25    HB3  ASN  30          3HB       ASN  30   3.150   9.452  -1.462
   26   HD21  ASN  30          1HD2      ASN  30   2.217  11.519  -1.800
   27   HD22  ASN  30          2HD2      ASN  30   2.502  12.807  -0.684
   28    H    THR  31           H        THR  31   0.892   7.370  -2.175
   29    HA   THR  31           HA       THR  31  -0.057   9.308  -4.009
   30    HB   THR  31           HB       THR  31   0.829   6.988  -4.569
   31    HG1  THR  31           HG1      THR  31  -0.563   8.524  -5.932
   32   HG21  THR  31          1HG2      THR  31  -1.798   5.788  -4.627
   33   HG22  THR  31          2HG2      THR  31  -1.320   6.183  -2.976
   34   HG23  THR  31          3HG2      THR  31  -0.291   5.153  -3.970
   35    H    ALA  32           H        ALA  32  -1.455   8.082  -1.238
   36    HA   ALA  32           HA       ALA  32  -4.135   8.866  -2.175
   37    HB1  ALA  32          1HB       ALA  32  -4.908   7.143  -0.369
   38    HB2  ALA  32          2HB       ALA  32  -4.461   6.598  -1.986
   39    HB3  ALA  32          3HB       ALA  32  -3.318   6.435  -0.653
   40    H    VAL  33           H        VAL  33  -1.703   8.954   0.281
   41    HA   VAL  33           HA       VAL  33  -3.115   9.829   2.500
   42    HB   VAL  33           HB       VAL  33  -0.610   9.306   2.291
   43   HG11  VAL  33          1HG1      VAL  33  -0.394  11.177   0.515
   44   HG12  VAL  33          2HG1      VAL  33  -0.299  12.258   1.907
   45   HG13  VAL  33          3HG1      VAL  33   0.891  10.972   1.705
   46   HG21  VAL  33          1HG2      VAL  33  -0.102  11.054   4.130
   47   HG22  VAL  33          2HG2      VAL  33  -1.802  11.489   3.960
   48   HG23  VAL  33          3HG2      VAL  33  -1.354   9.848   4.424
   49    H    ALA  34           H        ALA  34  -2.344  11.507  -0.438
   50    HA   ALA  34           HA       ALA  34  -3.256  14.053   0.704
   51    HB1  ALA  34          1HB       ALA  34  -2.250  13.916  -2.080
   52    HB2  ALA  34          2HB       ALA  34  -2.008  15.151  -0.844
   53    HB3  ALA  34          3HB       ALA  34  -1.087  13.649  -0.781
   54    H    TRP  35           H        TRP  35  -4.216  15.344  -1.479
   55    HA   TRP  35           HA       TRP  35  -6.153  15.699  -2.620
   56    HB2  TRP  35          2HB       TRP  35  -5.298  12.965  -3.378
   57    HB3  TRP  35          3HB       TRP  35  -6.959  13.397  -3.772
   58    HD1  TRP  35           HD1      TRP  35  -3.582  13.578  -5.170
   59    HE1  TRP  35           HE1      TRP  35  -3.486  15.219  -7.151
   60    HE3  TRP  35           HE3      TRP  35  -8.054  15.954  -4.472
   61    HZ2  TRP  35           HZ2      TRP  35  -5.094  17.251  -8.269
   62    HZ3  TRP  35           HZ3      TRP  35  -8.701  17.735  -6.041
   63    HH2  TRP  35           HH2      TRP  35  -7.250  18.369  -7.899
  Start of MODEL   15
    1    H1   GLN  27           H        GLN  27   3.077  -0.105  -3.833
    2    HA   GLN  27           HA       GLN  27   1.118   0.805  -1.980
    3    HB2  GLN  27          2HB       GLN  27   4.051   0.247  -1.873
    4    HB3  GLN  27          3HB       GLN  27   3.316   1.163  -0.564
    5    HG2  GLN  27          2HG       GLN  27   3.199  -0.986   0.232
    6    HG3  GLN  27          3HG       GLN  27   1.608  -0.784  -0.501
    7   HE21  GLN  27          1HE2      GLN  27   4.130  -2.838  -0.201
    8   HE22  GLN  27          2HE2      GLN  27   3.919  -3.783  -1.632
    9    H    ASP  28           H        ASP  28   0.672   2.694  -3.580
   10    HA   ASP  28           HA       ASP  28   2.464   4.945  -3.330
   11    HB2  ASP  28          2HB       ASP  28  -0.230   4.573  -4.634
   12    HB3  ASP  28          3HB       ASP  28   0.569   6.141  -4.553
   13    H    VAL  29           H        VAL  29   2.559   5.543  -1.197
   14    HA   VAL  29           HA       VAL  29   0.477   5.691   0.626
   15    HB   VAL  29           HB       VAL  29   2.781   5.915   1.336
   16   HG11  VAL  29          1HG1      VAL  29   3.924   7.070  -0.305
   17   HG12  VAL  29          2HG1      VAL  29   2.713   8.350  -0.396
   18   HG13  VAL  29          3HG1      VAL  29   3.817   8.275   0.978
   19   HG21  VAL  29          1HG2      VAL  29   0.856   6.992   2.615
   20   HG22  VAL  29          2HG2      VAL  29   2.487   7.530   3.016
   21   HG23  VAL  29          3HG2      VAL  29   1.456   8.530   1.993
   22    H    ASN  30           H        ASN  30   0.968   7.566  -2.147
   23    HA   ASN  30           HA       ASN  30  -0.604   9.816  -1.134
   24    HB2  ASN  30          2HB       ASN  30  -0.069  10.850  -3.352
   25    HB3  ASN  30          3HB       ASN  30   1.351  10.460  -2.385
   26   HD21  ASN  30          1HD2      ASN  30  -0.479   9.715  -5.223
   27   HD22  ASN  30          2HD2      ASN  30   0.692   8.679  -5.960
   28    H    THR  31           H        THR  31  -0.915   6.959  -2.993
   29    HA   THR  31           HA       THR  31  -3.093   7.702  -4.643
   30    HB   THR  31           HB       THR  31  -1.611   5.650  -4.913
   31    HG1  THR  31           HG1      THR  31  -3.927   6.125  -5.788
   32   HG21  THR  31          1HG2      THR  31  -3.419   3.916  -3.473
   33   HG22  THR  31          2HG2      THR  31  -2.616   5.043  -2.379
   34   HG23  THR  31          3HG2      THR  31  -1.658   3.992  -3.421
   35    H    ALA  32           H        ALA  32  -2.901   7.379  -1.327
   36    HA   ALA  32           HA       ALA  32  -5.819   7.032  -1.134
   37    HB1  ALA  32          1HB       ALA  32  -5.149   5.025  -0.235
   38    HB2  ALA  32          2HB       ALA  32  -3.663   5.697   0.438
   39    HB3  ALA  32          3HB       ALA  32  -5.213   6.040   1.206
   40    H    VAL  33           H        VAL  33  -2.952   8.693  -0.143
   41    HA   VAL  33           HA       VAL  33  -3.777  10.002   2.157
   42    HB   VAL  33           HB       VAL  33  -1.487  10.077   0.997
   43   HG11  VAL  33          1HG1      VAL  33  -2.615  11.073  -1.109
   44   HG12  VAL  33          2HG1      VAL  33  -2.499  12.606  -0.243
   45   HG13  VAL  33          3HG1      VAL  33  -1.039  11.686  -0.610
   46   HG21  VAL  33          1HG2      VAL  33  -2.436  12.744   1.998
   47   HG22  VAL  33          2HG2      VAL  33  -2.277  11.351   3.067
   48   HG23  VAL  33          3HG2      VAL  33  -0.863  11.979   2.221
   49    H    ALA  34           H        ALA  34  -4.736  10.500  -1.140
   50    HA   ALA  34           HA       ALA  34  -6.310  11.834  -2.101
   51    HB1  ALA  34          1HB       ALA  34  -7.216  11.394   0.582
   52    HB2  ALA  34          2HB       ALA  34  -7.668  13.016   0.053
   53    HB3  ALA  34          3HB       ALA  34  -8.158  11.611  -0.894
   54    H    TRP  35           H        TRP  35  -4.962  13.372  -2.978
   55    HA   TRP  35           HA       TRP  35  -4.356  15.735  -1.344
   56    HB2  TRP  35          2HB       TRP  35  -2.477  14.571  -2.517
   57    HB3  TRP  35          3HB       TRP  35  -3.232  14.993  -4.052
   58    HD1  TRP  35           HD1      TRP  35  -2.907  17.444  -4.939
   59    HE1  TRP  35           HE1      TRP  35  -1.468  19.431  -4.162
   60    HE3  TRP  35           HE3      TRP  35  -1.550  15.708  -0.326
   61    HZ2  TRP  35           HZ2      TRP  35   0.043  20.166  -1.894
   62    HZ3  TRP  35           HZ3      TRP  35  -0.105  17.114   1.085
   63    HH2  TRP  35           HH2      TRP  35   0.674  19.296   0.315
  Start of MODEL   16
    1    H1   GLN  27           H        GLN  27   2.431  -0.860  -1.260
    2    HA   GLN  27           HA       GLN  27   1.126   0.749  -3.269
    3    HB2  GLN  27          2HB       GLN  27   0.473  -0.175  -0.511
    4    HB3  GLN  27          3HB       GLN  27  -0.362   1.245  -1.127
    5    HG2  GLN  27          2HG       GLN  27  -1.561   0.062  -2.633
    6    HG3  GLN  27          3HG       GLN  27  -0.274  -1.113  -2.901
    7   HE21  GLN  27          1HE2      GLN  27  -2.183  -2.565  -2.808
    8   HE22  GLN  27          2HE2      GLN  27  -2.654  -3.174  -1.262
    9    H    ASP  28           H        ASP  28   1.831   2.729  -3.691
   10    HA   ASP  28           HA       ASP  28   3.473   4.252  -1.981
   11    HB2  ASP  28          2HB       ASP  28   1.868   4.973  -4.432
   12    HB3  ASP  28          3HB       ASP  28   2.876   6.144  -3.586
   13    H    VAL  29           H        VAL  29   2.581   4.573   0.024
   14    HA   VAL  29           HA       VAL  29  -0.033   5.265   0.634
   15    HB   VAL  29           HB       VAL  29   0.770   6.065   2.767
   16   HG11  VAL  29          1HG1      VAL  29   1.983   4.124   3.515
   17   HG12  VAL  29          2HG1      VAL  29   0.798   3.628   2.305
   18   HG13  VAL  29          3HG1      VAL  29   2.501   3.766   1.868
   19   HG21  VAL  29          1HG2      VAL  29   3.374   6.033   3.028
   20   HG22  VAL  29          2HG2      VAL  29   3.349   6.349   1.293
   21   HG23  VAL  29          3HG2      VAL  29   2.559   7.467   2.404
   22    H    ASN  30           H        ASN  30   2.289   7.102  -0.998
   23    HA   ASN  30           HA       ASN  30   1.049   9.654  -0.280
   24    HB2  ASN  30          2HB       ASN  30   3.487   9.068  -1.976
   25    HB3  ASN  30          3HB       ASN  30   2.909  10.674  -1.542
   26   HD21  ASN  30          1HD2      ASN  30   5.188   8.517  -0.848
   27   HD22  ASN  30          2HD2      ASN  30   5.471   8.872   0.819
   28    H    THR  31           H        THR  31   1.051   7.278  -2.743
   29    HA   THR  31           HA       THR  31   0.333   8.893  -4.957
   30    HB   THR  31           HB       THR  31   1.164   6.488  -5.035
   31    HG1  THR  31           HG1      THR  31   0.388   7.458  -6.912
   32   HG21  THR  31          1HG2      THR  31  -0.075   4.814  -4.232
   33   HG22  THR  31          2HG2      THR  31  -1.500   5.370  -5.110
   34   HG23  THR  31          3HG2      THR  31  -1.132   6.030  -3.516
   35    H    ALA  32           H        ALA  32  -1.331   8.210  -2.148
   36    HA   ALA  32           HA       ALA  32  -3.893   8.886  -3.433
   37    HB1  ALA  32          1HB       ALA  32  -4.876   7.532  -1.426
   38    HB2  ALA  32          2HB       ALA  32  -4.326   6.697  -2.879
   39    HB3  ALA  32          3HB       ALA  32  -3.299   6.742  -1.447
   40    H    VAL  33           H        VAL  33  -1.670   9.331  -0.819
   41    HA   VAL  33           HA       VAL  33  -3.220  10.631   1.075
   42    HB   VAL  33           HB       VAL  33  -0.734  10.000   1.191
   43   HG11  VAL  33          1HG1      VAL  33  -0.259  12.826   0.327
   44   HG12  VAL  33          2HG1      VAL  33   0.889  11.493   0.469
   45   HG13  VAL  33          3HG1      VAL  33  -0.277  11.517  -0.855
   46   HG21  VAL  33          1HG2      VAL  33  -0.526  11.249   3.088
   47   HG22  VAL  33          2HG2      VAL  33  -1.111  12.723   2.317
   48   HG23  VAL  33          3HG2      VAL  33  -2.252  11.466   2.796
   49    H    ALA  34           H        ALA  34  -3.584  12.852   1.526
   50    HA   ALA  34           HA       ALA  34  -4.301  14.949   1.006
   51    HB1  ALA  34          1HB       ALA  34  -1.835  14.645  -0.638
   52    HB2  ALA  34          2HB       ALA  34  -2.850  16.069  -0.870
   53    HB3  ALA  34          3HB       ALA  34  -2.162  15.725   0.717
   54    H    TRP  35           H        TRP  35  -6.019  13.245   0.026
   55    HA   TRP  35           HA       TRP  35  -7.485  12.705  -1.652
   56    HB2  TRP  35          2HB       TRP  35  -8.659  14.574  -2.478
   57    HB3  TRP  35          3HB       TRP  35  -7.993  15.115  -0.940
   58    HD1  TRP  35           HD1      TRP  35  -6.419  17.184  -0.981
   59    HE1  TRP  35           HE1      TRP  35  -5.536  18.736  -2.835
   60    HE3  TRP  35           HE3      TRP  35  -7.907  14.495  -5.066
   61    HZ2  TRP  35           HZ2      TRP  35  -5.478  18.810  -5.656
   62    HZ3  TRP  35           HZ3      TRP  35  -7.399  15.376  -7.307
   63    HH2  TRP  35           HH2      TRP  35  -6.210  17.489  -7.594
  Start of MODEL   17
    1    H1   GLN  27           H        GLN  27   0.640  -0.035   1.035
    2    HA   GLN  27           HA       GLN  27   2.484   1.207  -0.141
    3    HB2  GLN  27          2HB       GLN  27   0.912  -0.819  -1.108
    4    HB3  GLN  27          3HB       GLN  27   0.761   0.393  -2.374
    5    HG2  GLN  27          2HG       GLN  27   3.420  -0.492  -1.302
    6    HG3  GLN  27          3HG       GLN  27   2.607  -1.316  -2.632
    7   HE21  GLN  27          1HE2      GLN  27   4.549   1.307  -1.704
    8   HE22  GLN  27          2HE2      GLN  27   4.644   2.090  -3.241
    9    H    ASP  28           H        ASP  28   2.975   2.736  -1.789
   10    HA   ASP  28           HA       ASP  28   2.826   4.890  -2.558
   11    HB2  ASP  28          2HB       ASP  28   0.203   3.787  -3.589
   12    HB3  ASP  28          3HB       ASP  28   1.035   5.209  -4.213
   13    H    VAL  29           H        VAL  29   2.665   5.924  -0.515
   14    HA   VAL  29           HA       VAL  29   0.353   6.353   0.957
   15    HB   VAL  29           HB       VAL  29   1.457   8.247   1.970
   16   HG11  VAL  29          1HG1      VAL  29   3.527   6.160   1.298
   17   HG12  VAL  29          2HG1      VAL  29   3.483   7.195   2.727
   18   HG13  VAL  29          3HG1      VAL  29   2.251   5.954   2.498
   19   HG21  VAL  29          1HG2      VAL  29   2.387   9.593   0.385
   20   HG22  VAL  29          2HG2      VAL  29   3.839   8.737   0.904
   21   HG23  VAL  29          3HG2      VAL  29   3.000   8.240  -0.566
   22    H    ASN  30           H        ASN  30   1.082   7.465  -2.142
   23    HA   ASN  30           HA       ASN  30  -0.678   9.792  -1.943
   24    HB2  ASN  30          2HB       ASN  30   0.038  10.114  -4.373
   25    HB3  ASN  30          3HB       ASN  30   1.294  10.297  -3.152
   26   HD21  ASN  30          1HD2      ASN  30  -0.152   7.865  -5.280
   27   HD22  ASN  30          2HD2      ASN  30   1.326   7.042  -5.629
   28    H    THR  31           H        THR  31  -0.674   6.524  -2.969
   29    HA   THR  31           HA       THR  31  -2.682   6.637  -4.956
   30    HB   THR  31           HB       THR  31  -1.100   4.687  -4.431
   31    HG1  THR  31           HG1      THR  31  -2.409   3.615  -5.707
   32   HG21  THR  31          1HG2      THR  31  -1.459   3.322  -2.668
   33   HG22  THR  31          2HG2      THR  31  -3.212   3.476  -2.777
   34   HG23  THR  31          3HG2      THR  31  -2.264   4.732  -1.981
   35    H    ALA  32           H        ALA  32  -2.848   7.242  -1.671
   36    HA   ALA  32           HA       ALA  32  -5.761   6.812  -1.687
   37    HB1  ALA  32          1HB       ALA  32  -3.766   6.056   0.399
   38    HB2  ALA  32          2HB       ALA  32  -5.401   6.509   0.882
   39    HB3  ALA  32          3HB       ALA  32  -5.151   5.152  -0.216
   40    H    VAL  33           H        VAL  33  -3.071   8.838  -0.965
   41    HA   VAL  33           HA       VAL  33  -4.127  10.663   0.832
   42    HB   VAL  33           HB       VAL  33  -1.761  10.568  -0.157
   43   HG11  VAL  33          1HG1      VAL  33  -2.759  12.614  -2.094
   44   HG12  VAL  33          2HG1      VAL  33  -1.260  11.684  -2.119
   45   HG13  VAL  33          3HG1      VAL  33  -2.790  10.904  -2.522
   46   HG21  VAL  33          1HG2      VAL  33  -1.478  13.057   0.159
   47   HG22  VAL  33          2HG2      VAL  33  -3.230  13.147   0.345
   48   HG23  VAL  33          3HG2      VAL  33  -2.270  12.201   1.482
   49    H    ALA  34           H        ALA  34  -5.238  12.613   0.627
   50    HA   ALA  34           HA       ALA  34  -6.484  13.167  -1.974
   51    HB1  ALA  34          1HB       ALA  34  -8.086  11.851  -0.689
   52    HB2  ALA  34          2HB       ALA  34  -7.982  13.008   0.639
   53    HB3  ALA  34          3HB       ALA  34  -8.658  13.504  -0.913
   54    H    TRP  35           H        TRP  35  -4.907  14.886  -2.030
   55    HA   TRP  35           HA       TRP  35  -5.048  16.979  -0.049
   56    HB2  TRP  35          2HB       TRP  35  -3.526  16.657  -2.631
   57    HB3  TRP  35          3HB       TRP  35  -3.493  18.157  -1.709
   58    HD1  TRP  35           HD1      TRP  35  -3.447  16.513   1.180
   59    HE1  TRP  35           HE1      TRP  35  -1.179  15.550   1.926
   60    HE3  TRP  35           HE3      TRP  35  -1.063  16.455  -3.342
   61    HZ2  TRP  35           HZ2      TRP  35   1.293  14.858   0.752
   62    HZ3  TRP  35           HZ3      TRP  35   1.253  15.628  -3.444
   63    HH2  TRP  35           HH2      TRP  35   2.404  14.847  -1.438
  Start of MODEL   18
    1    H1   GLN  27           H        GLN  27   2.321  -0.693  -2.797
    2    HA   GLN  27           HA       GLN  27  -0.157   0.282  -3.346
    3    HB2  GLN  27          2HB       GLN  27  -0.546   0.441  -0.963
    4    HB3  GLN  27          3HB       GLN  27   0.453  -0.967  -1.297
    5    HG2  GLN  27          2HG       GLN  27   1.617   1.668  -0.458
    6    HG3  GLN  27          3HG       GLN  27   1.090   0.448   0.700
    7   HE21  GLN  27          1HE2      GLN  27   3.741   1.475   0.326
    8   HE22  GLN  27          2HE2      GLN  27   4.743   0.140  -0.117
    9    H    ASP  28           H        ASP  28   2.696   2.115  -2.645
   10    HA   ASP  28           HA       ASP  28   3.081   4.355  -2.347
   11    HB2  ASP  28          2HB       ASP  28   0.926   4.476  -4.469
   12    HB3  ASP  28          3HB       ASP  28   2.081   5.755  -4.105
   13    H    VAL  29           H        VAL  29   2.284   4.509  -0.199
   14    HA   VAL  29           HA       VAL  29  -0.348   4.918   0.576
   15    HB   VAL  29           HB       VAL  29   0.499   5.901   2.613
   16   HG11  VAL  29          1HG1      VAL  29   1.494   4.019   3.386
   17   HG12  VAL  29          2HG1      VAL  29   1.021   3.403   1.801
   18   HG13  VAL  29          3HG1      VAL  29   2.670   3.969   2.072
   19   HG21  VAL  29          1HG2      VAL  29   3.299   5.926   2.205
   20   HG22  VAL  29          2HG2      VAL  29   2.565   6.865   0.905
   21   HG23  VAL  29          3HG2      VAL  29   2.237   7.282   2.587
   22    H    ASN  30           H        ASN  30   1.599   6.921  -1.314
   23    HA   ASN  30           HA       ASN  30   0.157   9.358  -0.581
   24    HB2  ASN  30          2HB       ASN  30   1.755  10.423  -2.242
   25    HB3  ASN  30          3HB       ASN  30   2.496   9.726  -0.804
   26   HD21  ASN  30          1HD2      ASN  30   4.409   8.997  -1.402
   27   HD22  ASN  30          2HD2      ASN  30   4.723   7.981  -2.765
   28    H    THR  31           H        THR  31   0.185   6.877  -2.942
   29    HA   THR  31           HA       THR  31  -0.913   8.282  -5.135
   30    HB   THR  31           HB       THR  31   0.137   5.941  -5.137
   31    HG1  THR  31           HG1      THR  31  -2.329   6.007  -6.517
   32   HG21  THR  31          1HG2      THR  31  -0.999   4.142  -4.383
   33   HG22  THR  31          2HG2      THR  31  -2.558   4.780  -4.904
   34   HG23  THR  31          3HG2      THR  31  -1.843   5.327  -3.388
   35    H    ALA  32           H        ALA  32  -2.223   7.572  -2.141
   36    HA   ALA  32           HA       ALA  32  -4.949   7.964  -3.184
   37    HB1  ALA  32          1HB       ALA  32  -3.969   5.956  -1.207
   38    HB2  ALA  32          2HB       ALA  32  -5.606   6.596  -1.058
   39    HB3  ALA  32          3HB       ALA  32  -5.116   5.764  -2.534
   40    H    VAL  33           H        VAL  33  -2.517   8.761  -0.878
   41    HA   VAL  33           HA       VAL  33  -3.961   9.943   1.170
   42    HB   VAL  33           HB       VAL  33  -1.421   9.626   0.969
   43   HG11  VAL  33          1HG1      VAL  33  -1.452  11.118  -1.160
   44   HG12  VAL  33          2HG1      VAL  33  -1.396  12.451  -0.006
   45   HG13  VAL  33          3HG1      VAL  33  -0.108  11.246  -0.025
   46   HG21  VAL  33          1HG2      VAL  33  -2.016  12.328   2.059
   47   HG22  VAL  33          2HG2      VAL  33  -2.879  10.946   2.733
   48   HG23  VAL  33          3HG2      VAL  33  -1.117  10.992   2.778
   49    H    ALA  34           H        ALA  34  -4.338  12.223   1.626
   50    HA   ALA  34           HA       ALA  34  -5.715  13.505  -0.518
   51    HB1  ALA  34          1HB       ALA  34  -6.327  13.572   1.943
   52    HB2  ALA  34          2HB       ALA  34  -5.043  14.767   2.125
   53    HB3  ALA  34          3HB       ALA  34  -6.414  15.100   1.067
   54    H    TRP  35           H        TRP  35  -4.190  13.969  -2.115
   55    HA   TRP  35           HA       TRP  35  -2.613  15.176  -3.225
   56    HB2  TRP  35          2HB       TRP  35  -3.089  17.277  -1.105
   57    HB3  TRP  35          3HB       TRP  35  -2.500  17.530  -2.746
   58    HD1  TRP  35           HD1      TRP  35  -5.662  17.294  -0.741
   59    HE1  TRP  35           HE1      TRP  35  -7.696  17.596  -2.290
   60    HE3  TRP  35           HE3      TRP  35  -3.297  16.963  -5.262
   61    HZ2  TRP  35           HZ2      TRP  35  -8.227  17.683  -5.061
   62    HZ3  TRP  35           HZ3      TRP  35  -4.640  17.165  -7.313
   63    HH2  TRP  35           HH2      TRP  35  -7.054  17.517  -7.213
  Start of MODEL   19
    1    H1   GLN  27           H        GLN  27  -0.361  -0.491  -0.563
    2    HA   GLN  27           HA       GLN  27   2.397   0.254  -0.429
    3    HB2  GLN  27          2HB       GLN  27   2.292   0.096  -2.917
    4    HB3  GLN  27          3HB       GLN  27   1.722  -1.347  -2.089
    5    HG2  GLN  27          2HG       GLN  27  -0.357  -1.142  -2.890
    6    HG3  GLN  27          3HG       GLN  27  -0.368   0.610  -2.700
    7   HE21  GLN  27          1HE2      GLN  27   1.804  -1.489  -4.539
    8   HE22  GLN  27          2HE2      GLN  27   1.479  -0.774  -6.077
    9    H    ASP  28           H        ASP  28   3.395   2.108  -1.194
   10    HA   ASP  28           HA       ASP  28   3.599   4.389  -1.281
   11    HB2  ASP  28          2HB       ASP  28   1.419   3.982  -3.341
   12    HB3  ASP  28          3HB       ASP  28   2.469   5.392  -3.222
   13    H    VAL  29           H        VAL  29   2.815   4.839   0.830
   14    HA   VAL  29           HA       VAL  29   0.167   5.163   1.589
   15    HB   VAL  29           HB       VAL  29   0.952   6.537   3.413
   16   HG11  VAL  29          1HG1      VAL  29   1.739   4.684   4.346
   17   HG12  VAL  29          2HG1      VAL  29   2.016   3.996   2.744
   18   HG13  VAL  29          3HG1      VAL  29   3.289   4.923   3.539
   19   HG21  VAL  29          1HG2      VAL  29   3.631   6.882   3.225
   20   HG22  VAL  29          2HG2      VAL  29   3.150   7.108   1.543
   21   HG23  VAL  29          3HG2      VAL  29   2.442   8.114   2.806
   22    H    ASN  30           H        ASN  30   1.924   6.968  -0.653
   23    HA   ASN  30           HA       ASN  30   0.295   9.371  -0.302
   24    HB2  ASN  30          2HB       ASN  30   1.819  10.487  -1.732
   25    HB3  ASN  30          3HB       ASN  30   2.813   9.460  -0.703
   26   HD21  ASN  30          1HD2      ASN  30   1.611  10.012  -3.901
   27   HD22  ASN  30          2HD2      ASN  30   2.641   8.884  -4.707
   28    H    THR  31           H        THR  31   0.501   6.540  -2.217
   29    HA   THR  31           HA       THR  31  -0.733   7.467  -4.586
   30    HB   THR  31           HB       THR  31   0.505   5.249  -4.224
   31    HG1  THR  31           HG1      THR  31  -2.009   5.188  -5.570
   32   HG21  THR  31          1HG2      THR  31  -2.083   3.934  -3.736
   33   HG22  THR  31          2HG2      THR  31  -1.399   4.782  -2.349
   34   HG23  THR  31          3HG2      THR  31  -0.472   3.517  -3.155
   35    H    ALA  32           H        ALA  32  -1.947   7.168  -1.485
   36    HA   ALA  32           HA       ALA  32  -4.707   7.164  -2.511
   37    HB1  ALA  32          1HB       ALA  32  -5.228   6.125  -0.172
   38    HB2  ALA  32          2HB       ALA  32  -4.688   5.097  -1.500
   39    HB3  ALA  32          3HB       ALA  32  -3.546   5.598  -0.252
   40    H    VAL  33           H        VAL  33  -2.324   8.525  -0.430
   41    HA   VAL  33           HA       VAL  33  -3.838   9.917   1.427
   42    HB   VAL  33           HB       VAL  33  -1.283   9.770   1.220
   43   HG11  VAL  33          1HG1      VAL  33  -1.458  10.877  -1.125
   44   HG12  VAL  33          2HG1      VAL  33  -1.498  12.386  -0.211
   45   HG13  VAL  33          3HG1      VAL  33  -0.117  11.299  -0.061
   46   HG21  VAL  33          1HG2      VAL  33  -2.370  12.496   1.886
   47   HG22  VAL  33          2HG2      VAL  33  -2.623  11.084   2.912
   48   HG23  VAL  33          3HG2      VAL  33  -0.988  11.671   2.605
   49    H    ALA  34           H        ALA  34  -4.380  12.213   1.505
   50    HA   ALA  34           HA       ALA  34  -5.916  13.000  -0.756
   51    HB1  ALA  34          1HB       ALA  34  -6.901  13.756   1.155
   52    HB2  ALA  34          2HB       ALA  34  -5.362  14.124   1.937
   53    HB3  ALA  34          3HB       ALA  34  -6.005  15.206   0.702
   54    H    TRP  35           H        TRP  35  -5.102  13.837  -2.554
   55    HA   TRP  35           HA       TRP  35  -3.755  14.962  -4.006
   56    HB2  TRP  35          2HB       TRP  35  -4.136  16.792  -1.696
   57    HB3  TRP  35          3HB       TRP  35  -2.885  17.226  -2.858
   58    HD1  TRP  35           HD1      TRP  35  -6.139  15.551  -3.991
   59    HE1  TRP  35           HE1      TRP  35  -7.461  17.222  -5.434
   60    HE3  TRP  35           HE3      TRP  35  -3.244  19.704  -3.281
   61    HZ2  TRP  35           HZ2      TRP  35  -7.299  19.941  -6.174
   62    HZ3  TRP  35           HZ3      TRP  35  -3.897  21.800  -4.393
   63    HH2  TRP  35           HH2      TRP  35  -5.882  21.914  -5.810
  Start of MODEL   20
    1    H1   GLN  27           H        GLN  27   1.343  -0.006   0.611
    2    HA   GLN  27           HA       GLN  27   2.409   0.704  -1.274
    3    HB2  GLN  27          2HB       GLN  27   0.258  -0.864  -2.022
    4    HB3  GLN  27          3HB       GLN  27   0.081   0.565  -3.032
    5    HG2  GLN  27          2HG       GLN  27   2.513  -1.198  -2.841
    6    HG3  GLN  27          3HG       GLN  27   1.363  -1.131  -4.176
    7   HE21  GLN  27          1HE2      GLN  27   4.027   0.411  -2.606
    8   HE22  GLN  27          2HE2      GLN  27   4.333   1.596  -3.825
    9    H    ASP  28           H        ASP  28   2.927   2.590  -2.247
   10    HA   ASP  28           HA       ASP  28   2.908   4.870  -2.487
   11    HB2  ASP  28          2HB       ASP  28   0.205   4.200  -3.670
   12    HB3  ASP  28          3HB       ASP  28   1.119   5.676  -3.968
   13    H    VAL  29           H        VAL  29   2.843   5.402  -0.254
   14    HA   VAL  29           HA       VAL  29   0.584   5.610   1.343
   15    HB   VAL  29           HB       VAL  29   1.823   7.142   2.740
   16   HG11  VAL  29          1HG1      VAL  29   3.922   5.312   1.637
   17   HG12  VAL  29          2HG1      VAL  29   3.588   5.745   3.315
   18   HG13  VAL  29          3HG1      VAL  29   2.496   4.665   2.448
   19   HG21  VAL  29          1HG2      VAL  29   2.976   7.953   0.260
   20   HG22  VAL  29          2HG2      VAL  29   3.115   8.713   1.845
   21   HG23  VAL  29          3HG2      VAL  29   4.267   7.469   1.360
   22    H    ASN  30           H        ASN  30   1.341   7.375  -1.429
   23    HA   ASN  30           HA       ASN  30  -0.261   9.691  -0.641
   24    HB2  ASN  30          2HB       ASN  30   0.648  10.833  -2.474
   25    HB3  ASN  30          3HB       ASN  30   1.985   9.835  -1.912
   26   HD21  ASN  30          1HD2      ASN  30  -0.254  10.453  -4.447
   27   HD22  ASN  30          2HD2      ASN  30   0.394   9.329  -5.588
   28    H    THR  31           H        THR  31  -0.484   6.762  -2.402
   29    HA   THR  31           HA       THR  31  -2.508   7.460  -4.249
   30    HB   THR  31           HB       THR  31  -1.049   5.350  -4.241
   31    HG1  THR  31           HG1      THR  31  -3.801   4.797  -4.623
   32   HG21  THR  31          1HG2      THR  31  -1.471   3.632  -2.837
   33   HG22  THR  31          2HG2      THR  31  -3.212   3.912  -2.855
   34   HG23  THR  31          3HG2      THR  31  -2.173   4.886  -1.816
   35    H    ALA  32           H        ALA  32  -2.588   7.283  -0.910
   36    HA   ALA  32           HA       ALA  32  -5.523   7.044  -0.942
   37    HB1  ALA  32          1HB       ALA  32  -5.003   5.051   0.081
   38    HB2  ALA  32          2HB       ALA  32  -3.553   5.697   0.849
   39    HB3  ALA  32          3HB       ALA  32  -5.146   6.123   1.474
   40    H    VAL  33           H        VAL  33  -2.697   8.679   0.155
   41    HA   VAL  33           HA       VAL  33  -3.607  10.089   2.360
   42    HB   VAL  33           HB       VAL  33  -1.266  10.088   1.308
   43   HG11  VAL  33          1HG1      VAL  33  -0.720  11.601  -0.351
   44   HG12  VAL  33          2HG1      VAL  33  -2.304  11.033  -0.882
   45   HG13  VAL  33          3HG1      VAL  33  -2.153  12.589  -0.066
   46   HG21  VAL  33          1HG2      VAL  33  -0.712  11.766   2.714
   47   HG22  VAL  33          2HG2      VAL  33  -1.898  12.877   2.030
   48   HG23  VAL  33          3HG2      VAL  33  -2.407  11.645   3.185
   49    H    ALA  34           H        ALA  34  -4.403  10.475  -0.995
   50    HA   ALA  34           HA       ALA  34  -5.920  11.784  -2.074
   51    HB1  ALA  34          1HB       ALA  34  -6.928  11.516   0.607
   52    HB2  ALA  34          2HB       ALA  34  -7.355  13.092  -0.063
   53    HB3  ALA  34          3HB       ALA  34  -7.809  11.618  -0.918
   54    H    TRP  35           H        TRP  35  -6.569  14.069  -2.445
   55    HA   TRP  35           HA       TRP  35  -4.834  16.038  -1.156
   56    HB2  TRP  35          2HB       TRP  35  -3.879  15.016  -3.387
   57    HB3  TRP  35          3HB       TRP  35  -5.039  16.107  -4.141
   58    HD1  TRP  35           HD1      TRP  35  -4.593  18.503  -1.957
   59    HE1  TRP  35           HE1      TRP  35  -2.455  19.921  -2.159
   60    HE3  TRP  35           HE3      TRP  35  -1.732  15.270  -4.694
   61    HZ2  TRP  35           HZ2      TRP  35   0.106  19.698  -3.325
   62    HZ3  TRP  35           HZ3      TRP  35   0.551  15.949  -5.312
   63    HH2  TRP  35           HH2      TRP  35   1.449  18.118  -4.641